3-Pyrrolidinamine,N,1-bis(phenylmethyl)- supplier

Name
N,N'-DIBENZYL-3-AMINOPYRROLIDINE
EINECS
CAS No. 108963-20-8
Article Data7
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₂N₂
Boiling Point 385.9 °C at 760 mmHg
Molecular Weight 266.386
Flash Point 145 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Benzyl-3-benzylaminopyrrolidine;3-Benzylamino-1-benzylpyrrolidine;N,N'-Dibenzyl-3-aminopyrrolidine;
PSA 15.27000
LogP 3.37950

3-Pyrrolidinamine,N,1-bis(phenylmethyl)- Specification

The 3-Pyrrolidinamine,N,1-bis(phenylmethyl)-, with the CAS registry number 108963-20-8, is also known as N,N'-Dibenzyl-3-aminopyrrolidine. It belongs to the product categories of 3-Aminopyrrolidines; 3-Aminopyrrolidines (Racemic). This chemical's molecular formula is C₁₈H₂₂N₂ and molecular weight is 266.38. What's more, both its IUPAC name and systematic name are the same which is called N,1-Dibenzylpyrrolidin-3-amine. It can be used as chemical reagent.

Physical properties about 3-Pyrrolidinamine,N,1-bis(phenylmethyl)- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.31; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 18.41; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 15.27 Å²; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 84.71 cm³; (14)Molar Volume: 244.5 cm³; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.08 g/cm³; (17)Flash Point: 145 °C; (18)Enthalpy of Vaporization: 63.48 kJ/mol; (19)Boiling Point: 385.9 °C at 760 mmHg; (20)Vapour Pressure: 3.68E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c3cc(CN1CCC(C1)NCc2ccccc2)ccc3
(2) InChI: InChI=1/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
(3) InChIKey: BHEXKVGLZMEJRQ-UHFFFAOYAB

Product Name

N,N'-DIBENZYL-3-AMINOPYRROLIDINE

3-Pyrrolidinamine,N,1-bis(phenylmethyl)- Specification

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