CAS No.113974-24-6,Benzenemethanamine, 2-bromo-α-methyl-, (αR)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113974-24-6
Name:	Benzenemethanamine, 2-bromo-α-methyl-, (αR)-

Formula:	C₈H₁₀BrN
Molecular Weight:	200.078
Synonyms:	Benzenemethanamine,2-bromo-a-methyl-, (R)- (9CI);Benzenemethanamine, 2-bromo-a-methyl-, (R)-;(R)-1-(2-Bromophenyl)ethylamine;
Density:	1.4 g/cm³
Boiling Point:	248.5 °C at 760 mmHg
Flash Point:	104.1 °C
PSA:	26.02000
LogP:	3.16910

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Specification

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