1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-4-methyl- supplier

Name
1-(4-BROMOBENZYL)-4-METHYLPERHYDRO-1,4-DIAZEPINE
EINECS
CAS No. 280560-78-3
Density 1.282 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₉BrN₂
Boiling Point 336.4 °C at 760 mmHg
Molecular Weight 283.211
Flash Point 157.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 1-(4-Bromobenzyl)-4-methylhomopiperazine 97%;1-(4-Bromobenzyl)-4-methylhomopiperazine;1-(4-Bromobenzyl)-4-methylperhydro-1,4-diazepine;
PSA 6.48000
LogP 2.46240

1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-4-methyl- Specification

The CAS register number of 1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-4-methyl- is 280560-78-3. It also can be called as 1-(4-Bromobenzyl)-4-methylhomopiperazine and the systematic name about this chemical is 1-(4-bromobenzyl)-4-methyl-1,4-diazepane. The molecular formula about this chemical is C₁₃H₁₉BrN₂ and the molecular weight is 283.20736. This chemical may destroy living tissue on contact.

Physical properties about 1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-4-methyl- are: (1)ACD/LogP: 2.44; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 6.48 Å²; (5)Index of Refraction: 1.563; (6)Molar Refractivity: 71.75 cm³; (7)Molar Volume: 220.7 cm³; (8)Polarizability: 28.44x10^-24cm³; (9)Surface Tension: 40.8 dyne/cm; (10)Density: 1.282 g/cm³; (11)Flash Point: 157.3 °C; (12)Enthalpy of Vaporization: 57.96 kJ/mol; (13)Boiling Point: 336.4 °C at 760 mmHg; (14)Vapour Pressure: 0.000112 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CN2CCCN(CC2)C
(2)InChI: InChI=1/C13H19BrN2/c1-15-7-2-8-16(10-9-15)11-12-3-5-13(14)6-4-12/h3-6H,2,7-11H2,1H3
(3)InChIKey: WQUWRVLHCKJAMG-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H19BrN2/c1-15-7-2-8-16(10-9-15)11-12-3-5-13(14)6-4-12/h3-6H,2,7-11H2,1H3
(5)Std. InChIKey: WQUWRVLHCKJAMG-UHFFFAOYSA-N

Product Name

1-(4-BROMOBENZYL)-4-METHYLPERHYDRO-1,4-DIAZEPINE

1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-4-methyl- Specification

Related Products

Hot Products