-
Name
2-(4-Methylperhydro-1,4-diazepin-1-yl)benzylamine
- EINECS
- CAS No. 915707-56-1
- Density 1.042g/cm3
- Solubility
- Melting Point
- Formula C13H21N3
- Boiling Point 354 °C at 760 mmHg
- Molecular Weight 219.32594
- Flash Point 165.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols C
- Synonyms 2-(4-Methylperhydro-1,4-diazepin-1-yl)benzylamine;2-(4-Methylhomopiperazin-1-yl)benzylamine;2-(4-Methylhomopiperazin-1-yl)benzylamine 97%;1-[2-(4-Methyl-1,4-diazepan-1-yl)phenyl]methanamine
- PSA 32.50000
- LogP 1.99040
Benzenemethanamine,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- Specification
The Benzenemethanamine,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, with CAS registry number 915707-56-1, has the systematic name of [2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine. Besides this, it is also called 2-(4-Methylhomopiperazin-1-yl)benzylamine. And the chemical formula of this chemical is C13H21N3.
Physical properties of Benzenemethanamine,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 32.5 Å2; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 67.79 cm3; (9)Molar Volume: 210.4 cm3; (10)Polarizability: 26.87×10-24cm3; (11)Surface Tension: 41.8 dyne/cm; (12)Density: 1.042 g/cm3; (13)Flash Point: 165.4 °C; (14)Enthalpy of Vaporization: 59.9 kJ/mol; (15)Boiling Point: 354 °C at 760 mmHg; (16)Vapour Pressure: 3.45E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCCN(CC1)c2ccccc2CN
(2)InChI: InChI=1/C13H21N3/c1-15-7-4-8-16(10-9-15)13-6-3-2-5-12(13)11-14/h2-3,5-6H,4,7-11,14H2,1H3
(3)InChIKey: YLJBTEMLBKZLIT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H21N3/c1-15-7-4-8-16(10-9-15)13-6-3-2-5-12(13)11-14/h2-3,5-6H,4,7-11,14H2,1H3
(5)Std. InChIKey: YLJBTEMLBKZLIT-UHFFFAOYSA-N
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