1-(2-Bromophenyl)-1-methylethylamine supplier

Name
1-(2-Bromophenyl)-1-methylethylamine
EINECS
CAS No. 173026-23-8
Article Data5
CAS DataBase
Density 1.342 g/cm³
Solubility
Melting Point
Formula C₉H₁₂BrN
Boiling Point 255.3 °C at 760 mmHg
Molecular Weight 214.105
Flash Point 108.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(1-Amino-1-methylethyl)-2-bromobenzene;1-(2-Bromophenyl)-1-methylethylamine;
PSA 26.02000
LogP 3.34320

1-(2-Bromophenyl)-1-methylethylamine Specification

The systematic name of 1-(2-Bromophenyl)-1-methylethylamine is 2-(2-bromophenyl)propan-2-amine. With the CAS registry number 173026-23-8, it is also named as 1-(1-Amino-1-methylethyl)-2-bromobenzene. In addition, its molecular formula is C₉H₁₂BrN and molecular weight is 214.10.

The other characteristics of 1-(2-Bromophenyl)-1-methylethylamine can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.72; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 51.23 cm³; (15)Molar Volume: 159.4 cm³; (16)Polarizability: 20.31×10^-24cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.342 g/cm³; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 255.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0164 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1ccccc1C(N)(C)C
(2)InChI: InChI=1/C9H12BrN/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,11H2,1-2H3
(3)InChIKey: CKAXYTZRQQIOAL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H12BrN/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,11H2,1-2H3
(5)Std. InChIKey: CKAXYTZRQQIOAL-UHFFFAOYSA-N

Product Name

1-(2-Bromophenyl)-1-methylethylamine

1-(2-Bromophenyl)-1-methylethylamine Specification

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