1-(4-Bromophenyl)-1-methylethylamine supplier

Name
1-(4-Bromophenyl)-1-methylethylamine
EINECS
CAS No. 17797-12-5
Article Data17
CAS DataBase
Density 1.343 g/cm³
Solubility
Melting Point
Formula C₉H₁₂BrN
Boiling Point 267.744 °C at 760 mmHg
Molecular Weight 214.105
Flash Point 115.728 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylamine,p-bromo-a,a-dimethyl- (8CI);
PSA 26.02000
LogP 3.34320

1-(4-Bromophenyl)-1-methylethylamine Specification

The 1-(4-Bromophenyl)-1-methylethylamine with cas registry number of 17797-12-5 is also known as 1-(1-Amino-1-methylethyl)-4-bromobenzene. Both its systematic name and IUPAC name are the same which is called 2-(4-bromophenyl)propan-2-amine.

The physical properties about this chemical are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (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): 3; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 51.233 cm³; (13)Molar Volume: 159.477 cm³; (14)Surface Tension: 37.658 dyne/cm; (15)Density: 1.343 g/cm³; (16)Flash Point: 115.728 °C; (17)Enthalpy of Vaporization: 50.579 kJ/mol; (18)Boiling Point: 267.744 °C at 760 mmHg; (19)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)(C)c1ccc(Br)cc1
(2)InChI: InChI=1/C9H12BrN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3
(3)InChIKey: IQKKTIWXHJDLFL-UHFFFAOYAD

Product Name

1-(4-Bromophenyl)-1-methylethylamine

1-(4-Bromophenyl)-1-methylethylamine Specification

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