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176779-14-9

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Basic Information
CAS No.: 176779-14-9
Name: (R)-Benzyl 3-aminobutyrate
Molecular Structure:
Molecular Structure of 176779-14-9 ((R)-Benzyl 3-aminobutyrate)
Formula: C11H15NO2
Molecular Weight: 193.2423
Synonyms: (R)-BENZYL 3-AMINOBUTYRATE
Density: 1.077 g/cm3
Boiling Point: 297.3 °C at 760 mmHg
Flash Point: 153.3 °C
PSA: 52.32000
LogP: 2.16740
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    factory?direct?sale Application:healing drugs

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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    (R)-BENZYL 3-AMINOBUTYRATECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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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