Carbamic acid,[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI) supplier

Name
(S)-1-BENZYL-3-N-BOC-AMINOMETHYLPYRROLIDINE
EINECS
CAS No. 303111-41-3
Article Data3
CAS DataBase
Density 1.059 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₆N₂O₂
Boiling Point 400.1 °C at 760 mmHg
Molecular Weight 290.406
Flash Point 195.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl {[(3S)-1-benzylpyrrolidin-3-yl]methyl}carbamate;
PSA 41.57000
LogP 3.36200

Carbamic acid,[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI) Specification

The Carbamic acid,[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI), with the CAS registry number 303111-41-3, is also known as tert-Butyl {[(3S)-1-benzylpyrrolidin-3-yl]methyl}carbamate. This chemical's molecular formula is C₁₇H₂₆N₂O₂ and molecular weight is 290.4005. Its systematic name is called tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]carbamate.

Physical properties of Carbamic acid,[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI): (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 7.4): 1.1; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.527; (7)Molar Refractivity: 84.37 cm³; (8)Molar Volume: 274 cm³; (9)Surface Tension: 40 dyne/cm; (10)Density: 1.059 g/cm³; (11)Flash Point: 195.8 °C; (12)Enthalpy of Vaporization: 65.1 kJ/mol; (13)Boiling Point: 400.1 °C at 760 mmHg; (14)Vapour Pressure: 1.3E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCC1CCN(C1)Cc2ccccc2
(2)InChI: InChI=1/C17H26N2O2/c1-17(2,3)21-16(20)18-11-15-9-10-19(13-15)12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)/t15-/m0/s1
(3)InChIKey: MHRKPCRXBAHJGS-HNNXBMFYBY

Product Name

(S)-1-BENZYL-3-N-BOC-AMINOMETHYLPYRROLIDINE

Carbamic acid,[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI) Specification

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