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  • Benzeneacetamide,4-hydroxy
Name:Benzeneacetamide,4-hydroxy
CAS No:17194-82-0

PRODUCT DESCRIPTION

【Name】
Benzeneacetamide,4-hydroxy-
【Iupac name】
2-(4-hydroxyphenyl)acetamide
【CAS Registry number】
17194-82-0
【Synonyms】
Acetamide,2-(p-hydroxyphenyl)- (7CI,8CI)
(4-Hydroxyphenyl)acetamide
(p-Hydroxyphenyl)acetamide
2-(4-Hydroxyphenyl)acetamide
2-(p-Hydroxyphenyl)acetamide
NSC 187193
p-(Carbamoylmethyl)phenol
【EINECS(EC#)】
241-235-0
【Molecular Formula】
C8H9 N O2 (Products with the same molecular formula)
【Molecular Weight】
151.16
【Inchi】
InChI=1/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
【InChIKey】
YBPAYPRLUDCSEY-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1CC(=O)N)O
【MOL File】
17194-82-0.mol

Chemical and Physical Properties

【Appearance】
White to beige powder
【Density】
1.244g/cm3
【Melting Point】
175-178℃
【Boiling Point】
403.9°Cat760mmHg
【Vapour】
4.22E-07mmHg at 25°C
【Refractive Index】
1.594
【Flash Point】
STABILITY
【Water】
soluble
【Solubilities】
Soluble AUTOIGNITION
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:151.16256 [g/mol]
Molecular Formula:C8H9NO2
XLogP3:0.1
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:6
Exact Mass:151.063329
MonoIsotopic Mass:151.063329
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Formal Charge:0
Complexity:139
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:14

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Hazard Note】

Irritant

【Transport】
25kgs
【Specification】

The 4-Hydroxyphenylacetamide, with the cas registry number 17194-82-0, has the IUPAC name of 2-(4-hydroxyphenyl)acetamide. And it is a kind of beige fine crystalline powder, with its product categories including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks.

The physical properties of this chemical are as follows: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.62; (8)ACD/KOC (pH 7.4): 16.57; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 41.24 cm3; (15)Molar Volume: 121.4 cm3; (16)Polarizability: 16.35 ×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 198.1 °C; (20)Enthalpy of Vaporization: 68.07 kJ/mol; (21)Boiling Point: 403.9 °C at 760 mmHg; (22)Vapour Pressure: 4.22E-07 mmHg at 25°C; (23)Exact Mass: 151.063329; (24)MonoIsotopic Mass: 151.063329; (25)Topological Polar Surface Area: 63.3; (26)Heavy Atom Count: 11; (27)Formal Charge: 0; (28)Complexity: 139.

The production methods of this chemical are as follows: The first way is the ammoniation of p-hydroxyphenylacetic acidoyl; The second way: the para aminophenyl acetonitrile compose to get the p-hydroxybenzeneethanamide; The third way: p-Hydroxyacetophenone could react with ammonium sulfide to get this chemical.

As to its usage, it is widely applied in many ways. It is usually applied in composing atenolol which is a kind of β-paralysor, and it could also be used in curing hypertension, angina, arrhythmia cordis and also has some effect to? glaucoma; Besides, it is used as the intermediate of pharmaceutic and organic synthesis.

When you are dealing with this chemical, please be cautious. For being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and then avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(=O)N)O
(2)InChI: InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
(3)InChIKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N

【Report】

The 4-Hydroxyphenylacetamide, with the cas registry number 17194-82-0, has the IUPAC name of 2-(4-hydroxyphenyl)acetamide. And it is a kind of beige fine crystalline powder, with its product categories including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks.

The physical properties of this chemical are as follows: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.62; (8)ACD/KOC (pH 7.4): 16.57; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 41.24 cm3; (15)Molar Volume: 121.4 cm3; (16)Polarizability: 16.35 ×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 198.1 °C; (20)Enthalpy of Vaporization: 68.07 kJ/mol; (21)Boiling Point: 403.9 °C at 760 mmHg; (22)Vapour Pressure: 4.22E-07 mmHg at 25°C; (23)Exact Mass: 151.063329; (24)MonoIsotopic Mass: 151.063329; (25)Topological Polar Surface Area: 63.3; (26)Heavy Atom Count: 11; (27)Formal Charge: 0; (28)Complexity: 139.

The production methods of this chemical are as follows: The first way is the ammoniation of p-hydroxyphenylacetic acidoyl; The second way: the para aminophenyl acetonitrile compose to get the p-hydroxybenzeneethanamide; The third way: p-Hydroxyacetophenone could react with ammonium sulfide to get this chemical.

As to its usage, it is widely applied in many ways. It is usually applied in composing atenolol which is a kind of β-paralysor, and it could also be used in curing hypertension, angina, arrhythmia cordis and also has some effect to? glaucoma; Besides, it is used as the intermediate of pharmaceutic and organic synthesis.

When you are dealing with this chemical, please be cautious. For being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and then avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(=O)N)O
(2)InChI: InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
(3)InChIKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N

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