Products Categories
CAS No.: | 4885-18-1 |
---|---|
Name: | (3-BROMOBENZYL)DIMETHYLAMINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H12BrN |
Molecular Weight: | 214.105 |
Synonyms: | Benzylamine,m-bromo-N,N-dimethyl- (6CI,7CI,8CI);(3-Bromobenzyl)dimethylamine; |
Density: | 1.32 g/cm3 |
Melting Point: | 139-141 °C |
Boiling Point: | 227 °C at 760 mmHg |
Flash Point: | 91.1 °C |
Hazard Symbols: | Xi |
PSA: | 3.24000 |
LogP: | 2.51070 |
What can I do for you?
Get Best Price
This chemical is called Benzenemethanamine, 3-bromo-N,N-dimethyl-, and its systematic name is 1-(3-Bromophenyl)-N,N-dimethylmethanamine. With the molecular formula of C9H12BrN, its molecular weight is 214.10. The CAS registry number of this chemical is 4885-18-1. Additionally, its product categories are Amino; Aryl; Organohalides.
Other characteristics of the Benzenemethanamine, 3-bromo-N,N-dimethyl- can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.1; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 1.06; (8)ACD/KOC (pH 7.4): 35.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 51.84 cm3; (15)Molar Volume: 162.1 cm3; (16)Polarizability: 20.55×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 91.1 °C; (20)Enthalpy of Vaporization: 46.36 kJ/mol; (21)Boiling Point: 227 °C at 760 mmHg; (22)Vapour Pressure: 0.0792 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(ccc1)CN(C)C
2.InChI: InChI=1/C9H12BrN/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7H2,1-2H3
3.InChIKey: NENUHAOLAJUKLM-UHFFFAOYAN