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280560-78-3

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