(R)-Benzyl 3-aminobutyrate supplier

Name
(R)-Benzyl 3-aminobutyrate
EINECS
CAS No. 176779-14-9
Density 1.077 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₅NO₂
Boiling Point 297.3 °C at 760 mmHg
Molecular Weight 193.2423
Flash Point 153.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-BENZYL 3-AMINOBUTYRATE
PSA 52.32000
LogP 2.16740

(R)-Benzyl 3-aminobutyrate Specification

The (R)-Benzyl 3-aminobutyrate, with CAS registry number 176779-14-9, has the systematic name of benzyl (3R)-3-aminobutanoate. Its molecular weight is 193.2423. And the chemical formula of this chemical is C₁₁H₁₅NO₂.

Physical properties of (R)-Benzyl 3-aminobutyrate: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.25; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 54.96 cm³; (15)Molar Volume: 179.3 cm³; (16)Polarizability: 21.79×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 153.3 °C; (20)Enthalpy of Vaporization: 53.71 kJ/mol; (21)Boiling Point: 297.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00136 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)C[C@H](N)C
(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-/m1/s1
(3)InChIKey: NOHFRXCNQZIVBV-SECBINFHBE
(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-/m1/s1
(5)Std. InChIKey: NOHFRXCNQZIVBV-SECBINFHSA-N

Product Name

(R)-Benzyl 3-aminobutyrate

(R)-Benzyl 3-aminobutyrate Specification

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