Basic information
- Name:
Benzenebutanoic acid, b-amino-, hydrochloride (1:1), (bR)-
- Superlist Name:
- (R)-3-Amino-4-phenylbutyric acid hydrochloride
- CAS No.:
145149-50-4
- Molecular Structure:
- Formula:
- C10H13NO2.HCl
- Molecular Weight:
- 215.68
- Synonyms:
- Benzenebutanoicacid, b-amino-, hydrochloride, (R)-;Benzenebutanoic acid, b-amino-, hydrochloride, (bR)- (9CI);
- Melting Point:
- 200-202 °C
- Boiling Point:
- 359.6 °C at 760 mmHg
- Flash Point:
- 171.3 °C
- Safety Description:
- 22-24/25 Details
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Chemistry
IUPAC Name: (3R)-3-Amino-4-phenylbutanoic acid hydrochloride
Synonyms of (R)-3-Amino-4-phenylbutyric acid hydrochloride (CAS NO.145149-50-4): (3R)-3-amino-4-phenyl-butanoic acid hydrochloride ; D-Beta-homophenylalanine HCL ; D-Beta-homophenylalanine hydrochloride ; Rarechem AK PT F105 ; (R)-3-Amino-4-phenyl-butyric acid HCL
CAS NO: 145149-50-4
Molecular Formula: C10H14ClNO2
Molecular Weight: 215.6767
Molecular Structure: 
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 63.32 Å2
Flash Point: 171.3 °C
Enthalpy of Vaporization: 63.86 kJ/mol
Boiling Point: 359.6 °C at 760 mmHg
Vapour Pressure: 8.49E-06 mmHg at 25°C
Melting Point: 200-202°C
Product Categories of (R)-3-Amino-4-phenylbutyric acid hydrochloride (CAS NO.145149-50-4): β-Homo Amino Acids;Beta amino acids;API intermediates
SMILES: N[C@H](Cc1ccccc1)CC(O)=O.Cl
InChI: InChI=1/C10H13NO2.ClH/c11-9(7-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m1./s1
InChIKey: MQTMGKGSJOPWJW-SBSPUUFOBF
Std. InChI: InChI=1S/C10H13NO2.ClH/c11-9(7-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m1./s1
Std. InChIKey: MQTMGKGSJOPWJW-SBSPUUFOSA-N
Safety Profile
Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: When (R)-3-Amino-4-phenylbutyric acid hydrochloride (CAS NO.145149-50-4) is used,avoid contact with skin and eyes.
