Name: C-(1-BENZYL-PYRROLIDIN-3-YL)-METHYLAMINE
SKU: 93138-61-5

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Basic Information

Molecular Structure:
CAS No.:	93138-61-5
Name:	C-(1-BENZYL-PYRROLIDIN-3-YL)-METHYLAMINE
Article Data:	4

Formula:	C₁₂H₁₈N₂
Molecular Weight:	190.288
Synonyms:	Pyrrolidine,3-(aminomethyl)-1-benzyl- (7CI);1-Benzyl-3-pyrrolidinemethanamine;3-Aminomethyl-1-benzylpyrrolidine;1-(1-Benzylpyrrolidin-3-yl)methanamine;3-Pyrrolidinemethanamine, 1-(phenylmethyl)-;1-(1-benzylpyrrolidin-3-yl)methanamine oxalate;(1-benzylpyrrolidin-3-yl)methanamine;
Density:	1.04 g/cm³
Boiling Point:	284.3 °C at 760 mmHg
Flash Point:	115.3 °C
Hazard Symbols:	Xi,T
Risk Codes:	25
Safety:	45
PSA:	29.26000
LogP:	2.10540

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Specification

The 3-Pyrrolidinemethanamine,1-(phenylmethyl)-, with the CAS registry number 93138-61-5, has the systematic name of 1-(1-benzylpyrrolidin-3-yl)methanamine. It belongs to the following product categories: Pharmacetical; Aminomethyl's; Pyrrolidines. And the molecular formula of the chemical is C₁₂H₁₈N₂.

The characteristics of 3-Pyrrolidinemethanamine,1-(phenylmethyl)- are as followings: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.9; (4)ACD/LogD (pH 7.4): -2.39; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 59.4 cm³; (15)Molar Volume: 182.8 cm³; (16)Polarizability: 23.55×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 115.3 °C; (20)Enthalpy of Vaporization: 52.33 kJ/mol; (21)Boiling Point: 284.3 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1)CN2CCC(C2)CN
(2)InChI: InChI=1/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
(3)InChIKey: SUAKIVNGQVUKJA-UHFFFAOYAR