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Name |
Benzenemethanamine,2-bromo-a-methyl-, (aR)- |
EINECS | N/A |
CAS No. | 113974-24-6 | Density | 1.4 g/cm3 |
PSA | 26.02000 | LogP | 3.16910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10BrN | Boiling Point | 248.5 °C at 760 mmHg |
Molecular Weight | 200.078 | Flash Point | 104.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenemethanamine,2-bromo-a-methyl-, (R)- (9CI);Benzenemethanamine, 2-bromo-a-methyl-, (R)-;(R)-1-(2-Bromophenyl)ethylamine; |
The CAS register number of Benzenemethanamine,2-bromo-a-methyl-, (aR)- is 113974-24-6. It also can be called as (R)-1-(2-Bromophenyl)ethylamine and the IUPAC name about this chemical is (1R)-1-(2-bromophenyl)ethanamine. The molecular formula about this chemical is C8H10BrN and the molecular weight is 200.078.
Physical properties about Benzenemethanamine,2-bromo-a-methyl-, (aR)- are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): -0.82; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.73; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 47.03 cm3; (14)Molar Volume: 142.8 cm3; (15)Polarizability: 18.64x10-24cm3; (16)Surface Tension: 41.2 dyne/cm; (17)Density: 1.4 g/cm3; (18)Flash Point: 104.1 °C; (19)Enthalpy of Vaporization: 48.57 kJ/mol; (20)Boiling Point: 248.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0242 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1[C@H](N)C
(2)InChI: InChI=1/C8H10BrN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m1/s1
(3)InChIKey: DSAXBVQQKYZELF-ZCFIWIBFBN
(4)Std. InChI: InChI=1S/C8H10BrN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m1/s1
(5)Std. InChIKey: DSAXBVQQKYZELF-ZCFIWIBFSA-N