Basic Information | Post buying leads | Suppliers |
Name |
1-[(4-Bromophenyl)methyl]-1,4-diazepane |
EINECS | N/A |
CAS No. | 690632-73-6 | Density | 1.308 g/cm3 |
PSA | 15.27000 | LogP | 2.51110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H17BrN2 | Boiling Point | 341.3 °C at 760 mmHg |
Molecular Weight | 269.184 | Flash Point | 160.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-;1-(4-Bromobenzyl)-1,4-diazepane; |
The 1-[(4-Bromophenyl)methyl]-1,4-diazepane, with the CAS registry number 690632-73-6, is also known as 1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-. This chemical's molecular formula is C12H17BrN2 and formula weight is 269.18. What's more, its IUPAC name is 1-(4-bromobenzyl)-1,4-diazepane. It is corrosive.
Physical properties of 1-[(4-Bromophenyl)methyl]-1,4-diazepane are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): -1.25; (3)ACD/LogD (pH 7.4): -0.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.47; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 6.48 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 66.82 cm3; (13)Molar Volume: 205.7 cm3; (14)Surface Tension: 40.8 dyne/cm; (15)Density: 1.308 g/cm3; (16)Flash Point: 160.2 °C; (17)Enthalpy of Vaporization: 58.49 kJ/mol; (18)Boiling Point: 341.3 °C at 760 mmHg; (19)Vapour Pressure: 8.14E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CN2CCCNCC2
(2)InChI: InChI=1S/C12H17BrN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2
(3)InChIKey: PUTBARDRYLXING-UHFFFAOYSA-N