1-Pyrrolidinecarboxylicacid, 3-(aminomethyl)-, phenylmethyl ester supplier

Name
3-AMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
EINECS
CAS No. 315717-77-2
Article Data4
CAS DataBase
Density 1.155 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O₂
Boiling Point 370.5 °C at 760 mmHg
Molecular Weight 234.29
Flash Point 177.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Aminomethylpyrrolidine-1-carboxylicacid benzyl ester;
PSA 55.56000
LogP 2.24200

1-Pyrrolidinecarboxylicacid, 3-(aminomethyl)-, phenylmethyl ester Specification

The 1-Pyrrolidinecarboxylicacid, 3-(aminomethyl)-, phenylmethyl ester, with the CAS registry number 315717-77-2, is also known as (S)-3-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester. This chemical's molecular formula is C₁₃H₁₈N₂O₂ and molecular weight is 234.29. Its systematic name is called benzyl (3S)-3-(aminomethyl)pyrrolidine-1-carboxylate.

Physical properties of 1-Pyrrolidinecarboxylicacid, 3-(aminomethyl)-, phenylmethyl ester: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): -1.97; (3)ACD/LogD (pH 7.4): -1.45; (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: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 65.68 cm³; (13)Molar Volume: 202.8 cm³; (14)Surface Tension: 48 dyne/cm; (15)Density: 1.155 g/cm³; (16)Flash Point: 177.9 °C; (17)Enthalpy of Vaporization: 61.74 kJ/mol; (18)Boiling Point: 370.5 °C at 760 mmHg; (19)Vapour Pressure: 1.1E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2C[C@H](CN)CC2
(2)InChI: InChI=1/C13H18N2O2/c14-8-12-6-7-15(9-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2/t12-/m0/s1
(3)InChIKey: LVZARJOZJFAOQF-LBPRGKRZBV

Product Name

3-AMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER

1-Pyrrolidinecarboxylicacid, 3-(aminomethyl)-, phenylmethyl ester Specification

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