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| CAS No.: | 915707-48-1 |
|---|---|
| Name: | 3-[(4-Methylhomopiperazin-1-yl)methyl]benzylamine |
| Molecular Structure: | |
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| Formula: | C14H23N3 |
| Molecular Weight: | 233.35252 |
| Synonyms: | 3-[(4-Methylhomopiperazin-1-yl)methyl]benzylamine;3-[(4-methylperhydro-1,4-diazepin-1-yl)methyl]benzylamine;3-[(4-Methylhomopiperazin-1-yl)methyl]benzylamine 97%;3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzylamine 97%;3-[(4-Methylhomopiperazin-1-yl)methyl]benzylamine, {3-[(4-Methyl-1,4-diazepan-1-yl)methyl]phenyl}methylamine |
| Density: | 1.038 g/cm3 |
| Boiling Point: | 346.1 °C at 760 mmHg |
| Flash Point: | 160.8 °C |
| Hazard Symbols: |
 C
|
| PSA: | 32.50000 |
| LogP: | 1.85890 |
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Specification
The Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-, with CAS registry number 915707-48-1, has the systematic name of [3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine. This chemical is corrosive. And the chemical formula of this chemical is C14H23N3.
Physical properties of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 32.5 Å2; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 72.51 cm3; (9)Molar Volume: 224.5 cm3; (10)Polarizability: 28.74×10-24cm3; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.038 g/cm3; (13)Flash Point: 160.8 °C; (14)Enthalpy of Vaporization: 59.03 kJ/mol; (15)Boiling Point: 346.1 °C at 760 mmHg; (16)Vapour Pressure: 5.87E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCCN(CC1)Cc2cccc(c2)CN
(2)InChI: InChI=1/C14H23N3/c1-16-6-3-7-17(9-8-16)12-14-5-2-4-13(10-14)11-15/h2,4-5,10H,3,6-9,11-12,15H2,1H3
(3)InChIKey: MSLZRDIUXASDJH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H23N3/c1-16-6-3-7-17(9-8-16)12-14-5-2-4-13(10-14)11-15/h2,4-5,10H,3,6-9,11-12,15H2,1H3
(5)Std. InChIKey: MSLZRDIUXASDJH-UHFFFAOYSA-N