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  • Cyclopentanecarboxylicacid, 2-amino-, hydrochloride (1:1), (1R,2S)
Name:Cyclopentanecarboxylicacid, 2-amino-, hydrochloride (1:1), (1R,2S)
CAS No:128110-37-2

PRODUCT DESCRIPTION

【Name】
Cyclopentanecarboxylicacid, 2-amino-, hydrochloride (1:1), (1R,2S)-
【Iupac name】
(1R,2S)-2-aminocyclopentane-1-carboxylic acid hydrochloride
【CAS Registry number】
128110-37-2
【Synonyms】
Cyclopentanecarboxylicacid, 2-amino-, hydrochloride, (1R,2S)- (9CI)
Cyclopentanecarboxylic acid,2-amino-, hydrochloride, (1R-cis)-
【Molecular Formula】
C6H11NO2.HCl (Products with the same molecular formula)
【Molecular Weight】
165.62
【Inchi】
InChI=1/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5+;/m1./s1
【Canonical SMILES】
C1CC(C(C1)N)C(=O)O.Cl
【Isomers smiles】
C1C[C@H]([C@H](C1)N)C(=O)O.Cl
【MOL File】
128110-37-2.mol

Chemical and Physical Properties

【Appearance】
Almost white crystalline powder
【Boiling Point】
264.7 °C at 760 mmHg
【Vapour】
0.00278mmHg at 25°C
【Flash Point】
264.7 °C at 760 mmHg
【Water】
soluble
【Solubilities】
soluble
【Computed Properties】
Molecular Weight:165.61798 [g/mol]
Molecular Formula:C6H12ClNO2
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:165.055656
MonoIsotopic Mass:165.055656
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Formal Charge:0
Complexity:124
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Safety Statements 】
S24/25
【Specification】

The (1R,2S)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride with its cas register number is 128110-37-2. It also can be called as (1R,2S)-Cispentacin hydrochloride and the IUPAC Name about this chemical is (1R,2S)-2-aminocyclopentane-1-carboxylic acid hydrochloride. When you are using it, please avoid contact with skin and eyes.

Physical properties about (1R,2S)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride are: (1)ACD/LogP: -0.31; (2)ACD/LogD (pH 5.5): -2.81; (3)ACD/LogD (pH 7.4): -2.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54Å2; (12)Enthalpy of Vaporization: 55.33 kJ/mol; (13)Vapour Pressure: 0.00278 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(C(C1)N)C(=O)O.Cl
(2)Isomeric SMILES: C1C[C@H]([C@H](C1)N)C(=O)O.C
(3)InChI: InChI=1S/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5+;/m1./s1
(4)InChIKey: LVBDVNLIEHCCTP-JBUOLDKXSA-N

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