Basic Information | Post buying leads | Suppliers |
Name |
6-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
EINECS | N/A |
CAS No. | 6729-30-2 | Density | 1.475 g/cm3 |
PSA | 32.59000 | LogP | 2.80900 |
Solubility | N/A | Melting Point |
382.2 °C at 760 mmHg |
Formula | C10H10BrNO | Boiling Point | 185 °C |
Molecular Weight | 240.10 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one; |
The 6-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, with the cas registry number 6729-30-2, has the systematic name of 6-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one. And the molecular formula of the chemical is C10H10BrNO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.14; (6)ACD/BCF (pH 7.4): 129.14; (7)ACD/KOC (pH 5.5): 1129; (8)ACD/KOC (pH 7.4): 1129.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 54.2 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 21.48×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 185 °C; (20)Enthalpy of Vaporization: 63.06 kJ/mol; (21)Boiling Point: 382.2 °C at 760 mmHg; (22)Vapour Pressure: 4.79E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cccc2NC(=O)CCCc12
(2)InChI: InChI=1/C10H10BrNO/c11-8-4-2-5-9-7(8)3-1-6-10(13)12-9/h2,4-5H,1,3,6H2,(H,12,13)
(3)InChIKey: VTTMGWBZSGXBTC-UHFFFAOYAB