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915707-57-2

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Basic Information
CAS No.: 915707-57-2
Name: N-Methyl-2-(4-methylperhydro-1,4-diazepin-1-yl)benzylamine
Molecular Structure:
Molecular Structure of 915707-57-2 (N-Methyl-2-(4-methylperhydro-1,4-diazepin-1-yl)benzylamine)
Formula: C14H23N3
Molecular Weight: 233.35252
Synonyms: N-Methyl-2-(4-methylperhydro-1,4-diazepin-1-yl)benzylamine;N-Methyl-2-(4-methylhomopiperazin-1-yl)benzylamine;N-Methyl-2-(4-methylhomopiperazin-1-yl)benzylamine 97%;N-Methyl-2-(4-methylperhydro-1,4-diazepin-1-yl)benzylamine, 97+%
Density: 1.005 g/cm3
Boiling Point: 347 °C at 760 mmHg
Flash Point: 170.3 °C
Hazard Symbols: CorrosiveC
PSA: 18.51000
LogP: 1.94170
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Specification

The Benzenemethanamine,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-methyl-, with CAS registry number 915707-57-2, has the systematic name of N-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine. This chemical is corrosive. And the chemical formula of this chemical is C14H23N3.

Physical properties of Benzenemethanamine,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-methyl-: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.51 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 72.48 cm3; (9)Molar Volume: 232.1 cm3; (10)Polarizability: 28.73×10-24cm3; (11)Surface Tension: 37.3 dyne/cm; (12)Density: 1.005 g/cm3; (13)Flash Point: 170.3 °C; (14)Enthalpy of Vaporization: 59.12 kJ/mol; (15)Boiling Point: 347 °C at 760 mmHg; (16)Vapour Pressure: 5.55E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1ccccc1N2CCCN(CC2)C
(2)InChI: InChI=1/C14H23N3/c1-15-12-13-6-3-4-7-14(13)17-9-5-8-16(2)10-11-17/h3-4,6-7,15H,5,8-12H2,1-2H3
(3)InChIKey: OEVIJYRNRIFBSO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C14H23N3/c1-15-12-13-6-3-4-7-14(13)17-9-5-8-16(2)10-11-17/h3-4,6-7,15H,5,8-12H2,1-2H3
(5)Std. InChIKey: OEVIJYRNRIFBSO-UHFFFAOYSA-N