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6642-04-2

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Basic Information
CAS No.: 6642-04-2
Name: N,N-dibenzyl-1-(1H-pyrrol-2-yl)methanamine
Molecular Structure:
Molecular Structure of 6642-04-2 (N,N-dibenzyl-1-(1H-pyrrol-2-yl)methanamine)
Formula: C19H20N2
Molecular Weight: 276.3755
Synonyms: N,N-Dibenzyl-1-(1H-pyrrol-2-yl)methanamine;
Density: 1.124 g/cm3
Boiling Point: 405.8 °C at 760 mmHg
Flash Point: 199.2 °C
PSA: 19.03000
LogP: 4.21710
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Specification

The 1H-Pyrrole-2-methanamine,N,N-bis(phenylmethyl)-, with the CAS registry number 6642-04-2. This chemical's molecular formula is C19H20N2 and molecular weight is 276.3755. What's more, its systematic name is also called N-Benzyl-1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine.

Physical properties about 1H-Pyrrole-2-methanamine,N,N-bis(phenylmethyl)- are: (1)ACD/LogP: 4.20; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 8.17 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 87.56 cm3; (9)Molar Volume: 245.7 cm3; (10)Polarizability: 34.71×10-24 cm3; (11)Surface Tension: 49.9 dyne/cm; (12)Density: 1.124 g/cm3; (13)Flash Point: 199.2 °C; (14)Enthalpy of Vaporization: 65.75 kJ/mol; (15)Boiling Point: 405.8 °C at 760 mmHg; (16)Vapour Pressure: 8.52E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccccc1)CN(Cc2cccn2)Cc3ccccc3
(2) InChI: InChI=1/C19H20N2/c1-3-8-17(9-4-1)14-21(16-19-12-7-13-20-19)15-18-10-5-2-6-11-18/h1-13,20H,14-16H2
(3) InChIKey: SPEBSBXTPSLRCP-UHFFFAOYAU