Welcome to our website!

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

  • Benzenemethanol, a-[(1S)-1-aminoethyl]-4-hydroxy-,(aR)
Name:Benzenemethanol, a-[(1S)-1-aminoethyl]-4-hydroxy-,(aR)
CAS No:771-91-5

PRODUCT DESCRIPTION

【Name】
Benzenemethanol, a-[(1S)-1-aminoethyl]-4-hydroxy-,(aR)-
【CAS Registry number】
771-91-5
【Synonyms】
Benzenemethanol,a-(1-aminoethyl)-4-hydroxy-,[R-(R*,S*)]-
Benzyl alcohol, a-(1-aminoethyl)-p-hydroxy-, (-)-erythro- (8CI)
Norephedrine, p-hydroxy-(6CI)
(-)-4-Hydroxynorephedrin
(-)-p-Hydroxynorephedrine
(1R,2S)-2-Amino-1-(4-hydroxyphenyl)propan-1-ol
p-Hydroxynorephedrine
【Molecular Formula】
C9H13NO2 (Products with the same molecular formula)
【Molecular Weight】
167.20502
【Inchi】
InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3
【Canonical SMILES】
CC(C(C1=CC=C(C=C1)O)O)N
【MOL File】
771-91-5.mol

Chemical and Physical Properties

【Density】
1.198
【Melting Point】
165-166 °C
【Computed Properties】
Molecular Weight:167.20502 [g/mol]
Molecular Formula:C9H13NO2
XLogP3:0.5
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:167.094629
MonoIsotopic Mass:167.094629
Topological Polar Surface Area:66.5
Heavy Atom Count:12
Formal Charge:0
Complexity:133
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:3
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:12

Safety and Handling

【Specification】

The (-)-4-Hydroxynorephedrin with the cas number 771-91-5 is also called Benzenemethanol, a-[(1S)-1-aminoethyl]-4-hydroxy-,(aR)-. The IUPAC name is 4-[(1R,2S)-2-amino-1-hydroxypropyl]phenol. Its molecular formula is C9H13NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3 0.5 ; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 2; (6)Exact Mass: 167.094629; (7)MonoIsotopic Mass: 167.094629; (8)Topological Polar Surface Area: 66.5; (9)Heavy Atom Count: 12; (10)Formal Charge: 0; (11)Complexity: 133; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 2; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(C1=CC=C(C=C1)O)O)N
(2)InChI: InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,
1H3/t6-,9-/m0/s1
(3)InChIKey: JAYBQRKXEFDRER-RCOVLWMOSA-N

RELATED PRODUCTS