(S)-Benzyl 3-aminobutyrate supplier

Name
(S)-Benzyl 3-aminobutyrate
EINECS
CAS No. 173239-31-1
Density 1.077 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₅NO₂
Boiling Point 297.3 °C at 760 mmHg
Molecular Weight 193.24
Flash Point 153.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-3-Aminobutyric acid benzyl ester sulfate;
PSA 52.32000
LogP 2.16740

(S)-Benzyl 3-aminobutyrate Specification

The CAS register number of (S)-Benzyl 3-aminobutyrate is 173239-31-1. It also can be called as (R)-3-Aminobutyric acid benzyl ester sulfate and the systematic name about this chemical is benzyl (3S)-3-aminobutanoate. The molecular formula about this chemical is C₁₁H₁₅NO₂ and the molecular weight is 193.24.

Physical properties about (S)-Benzyl 3-aminobutyrate are: (1)ACD/LogP: 1.70; (2)ACD/LogD (pH 7.4): 0.41; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 10.25; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 52.32 Å²; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 54.96 cm³; (13)Molar Volume: 179.3 cm³; (14)Polarizability: 21.79x10^-24cm³; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 1.077 g/cm³; (17)Flash Point: 153.3 °C; (18)Enthalpy of Vaporization: 53.71 kJ/mol; (19)Boiling Point: 297.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00136 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](N)CC(=O)OCc1ccccc1
(2)InChI: InChI=1/C11H15NO2/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3/t9-/m0/s1
(3)InChIKey: NOHFRXCNQZIVBV-VIFPVBQEBB
(4)Std. InChI: InChI=1S/C11H15NO2/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3/t9-/m0/s1
(5)Std. InChIKey: NOHFRXCNQZIVBV-VIFPVBQESA-N

Product Name

(S)-Benzyl 3-aminobutyrate

(S)-Benzyl 3-aminobutyrate Specification

Related Products

Hot Products