(3S)-1-(Phenylmethyl)-3-pyrrolidinemethanamine supplier

Name
(S)-3-AMINOMETHYL-1-BENZYLPYRROLIDINE
EINECS
CAS No. 229323-07-3
Article Data3
CAS DataBase
Density 1.041 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂
Boiling Point 284.285 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 115.308 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-Aminomethyl-1-benzylpyrrolidine;
PSA 29.26000
LogP 2.10540

(3S)-1-(Phenylmethyl)-3-pyrrolidinemethanamine Specification

The 3-Pyrrolidinemethanamine,1-(phenylmethyl)-, (3S)-, with the CAS registry number 229323-07-3, is also known as (3S)-3-Aminomethyl-1-benzylpyrrolidine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₂H₁₈N₂ and molecular weight is 190.28472. Its IUPAC name is called [(3S)-1-benzylpyrrolidin-3-yl]methanamine.

Physical properties of 3-Pyrrolidinemethanamine,1-(phenylmethyl)-, (3S)-: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): -2.9; (3)ACD/LogD (pH 7.4): -2.39; (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: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 59.4 cm³; (13)Molar Volume: 182.8 cm³; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.04 g/cm³; (16)Flash Point: 115.3 °C; (17)Enthalpy of Vaporization: 52.33 kJ/mol; (18)Boiling Point: 284.3 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC1CN)CC2=CC=CC=C2
(2)Isomeric SMILES: C1CN(C[C@@H]1CN)CC2=CC=CC=C2
(3)InChI: InChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2/t12-/m0/s1
(4)InChIKey: SUAKIVNGQVUKJA-LBPRGKRZSA-N

Product Name

(S)-3-AMINOMETHYL-1-BENZYLPYRROLIDINE

(3S)-1-(Phenylmethyl)-3-pyrrolidinemethanamine Specification

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