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50638-54-5

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Basic Information
CAS No.: 50638-54-5
Name: N1,N1,2,6-TETRAMETHYL-4-BROMOANILINE
Molecular Structure:
Molecular Structure of 50638-54-5 (N1,N1,2,6-TETRAMETHYL-4-BROMOANILINE)
Formula: C10H14BrN
Molecular Weight: 228.132
Synonyms: 2,6-Xylidine,4-bromo-N,N-dimethyl- (6CI);N,N-Dimethyl-4-bromo-2,6-dimethylaniline;N,N-Dimethyl-4-bromo-2,6-xylidine;
Density: 1.295 g/cm3
Boiling Point: 269.9 °C at 760 mmHg
Flash Point: 117.1 °C
PSA: 3.24000
LogP: 3.13190
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Specification

The Benzenamine,4-bromo-N,N,2,6-tetramethyl-, with the CAS registry number 50638-54-5, has the systematic name of 4-bromo-N,N,2,6-tetramethylaniline. It belongs to the following product categories: Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. And the molecular formula of the chemical is C10H14BrN.

The characteristics of Benzenamine,4-bromo-N,N,2,6-tetramethyl- are as followings: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 613.8; (6)ACD/BCF (pH 7.4): 1008.04; (7)ACD/KOC (pH 5.5): 2985.54; (8)ACD/KOC (pH 7.4): 4903.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 57.9 cm3; (15)Molar Volume: 176.1 cm3; (16)Polarizability: 22.95×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.295 g/cm3; (19)Flash Point: 117.1 °C; (20)Enthalpy of Vaporization: 50.81 kJ/mol; (21)Boiling Point: 269.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00704 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(c(N(C)C)c(c1)C)C
(2)InChI: InChI=1/C10H14BrN/c1-7-5-9(11)6-8(2)10(7)12(3)4/h5-6H,1-4H3
(3)InChIKey: NDDKEDQKCHIHMI-UHFFFAOYAL