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Name |
Benzenemethanamine,2-bromo-N,N-dimethyl- |
EINECS | 217-831-1 |
CAS No. | 1976-04-1 | Density | 1.32 g/cm3 |
PSA | 3.24000 | LogP | 2.51070 |
Solubility | N/A | Melting Point |
124-126 °C |
Formula | C9H12BrN | Boiling Point | 223 °C at 760 mmHg |
Molecular Weight | 214.105 | Flash Point | 88.7 °C |
Transport Information | 1760 | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzylamine,o-bromo-N,N-dimethyl- (7CI,8CI);1-Bromo-2-[(dimethylamino)methyl]benzene;2-((Dimethylamino)methyl)bromobenzene;2-Bromo-N,N-dimethylbenzylamine;NSC54514;NSC 62161;o-Bromo-N,N-dimethylbenzylamine;2-(N,N-Dimethylaminomethyl)-bromobenzene; |
Article Data | 20 |
The CAS register number of Benzenemethanamine,2-bromo-N,N-dimethyl- is 1976-04-1. It also can be called as 2-bromo-N,N-dimethylbenzylamine and the IUPAC name about this chemical is 1-(2-bromophenyl)-N,N-dimethylmethanamine. The molecular formula about this chemical is C9H12BrN and the molecular weight is 214.1023. It belongs to the following product categories which include Organohalides; Aryl and so on.
Physical properties about Benzenemethanamine,2-bromo-N,N-dimethyl- are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 0.12; (3)ACD/LogD (pH 7.4): 1.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 7.91; (6)ACD/KOC (pH 5.5): 1.73; (7)ACD/KOC (pH 7.4): 81.43; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 3.24Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 51.84 cm3; (13)Molar Volume: 162.1 cm3; (14)Polarizability: 20.55x10-24cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Flash Point: 88.7 °C; (17)Enthalpy of Vaporization: 45.95 kJ/mol; (18)Boiling Point: 223 °C at 760 mmHg; (19)Vapour Pressure: 0.0986 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CN(C)C
(2)InChI: InChI=1/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3
(3)InChIKey: ZPZPSZZVDFMNQS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3
(5)Std. InChIKey: ZPZPSZZVDFMNQS-UHFFFAOYSA-N