Identification

CAS: 19900-66-4

Name:: Aniline, 4,4-methylenebis(o-isopropyl-

Cas No.:: 19900-66-4

Molecular Structure:

EINECS(EC#):

Molecular Formula:: C₁₉H₂₆N₂

Molecular Weight:: 282.429

Synonyms:: Benzenamine, 4,4-methylenebis(2-(1-methylethyl)- (9CI);4,4-Methylenebis(2-(1-methylethyl)benzenamine);Mboipa;4-[(4-amino-3-propan-2-yl-phenyl)methyl]-2-propan-2-yl-aniline;4,4-Methylenebis(o-isopropylaniline);

19900-66-4 Chemical

Appearance:
mp :
bp :: 435.5 °C at 760 mmHg

Flash Point:: 260.3 °C
Density:: 1.032 g/cm³
Water Solubility :

19900-66-4 Safety Data

Risk Codes:

Safety:

RTECS :

DG0875000

19900-66-4 Specification

The Aniline, 4,4-methylenebis(o-isopropyl-, with the CAS registry number 19900-66-4, is also known as 4,4'-Methylenebis(2-isopropylaniline). It's classification code is Mutation data. This chemical's molecular formula is C₁₉H₂₆N₂ and molecular weight is 282.42314. What's more, its IUPAC name is 4-[(4-Amino-3-propan-2-ylphenyl)methyl]-2-propan-2-ylaniline.

Physical properties about Aniline, 4,4-methylenebis(o-isopropyl- are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 772.51; (6)ACD/BCF (pH 7.4): 1125.17; (7)ACD/KOC (pH 5.5): 3644.62; (8)ACD/KOC (pH 7.4): 5308.43; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 92.4 cm³; (15)Molar Volume: 273.5 cm³; (16)Polarizability: 36.63×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.032 g/cm³; (19)Flash Point: 260.3 °C; (20)Enthalpy of Vaporization: 69.18 kJ/mol; (21)Boiling Point: 435.5 °C at 760 mmHg; (22)Vapour Pressure: 8.7E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc(cc1C(C)C)Cc2ccc(N)c(c2)C(C)C
(2) InChI: InChI=1/C19H26N2/c1-12(2)16-10-14(5-7-18(16)20)9-15-6-8-19(21)17(11-15)13(3)4/h5-8,10-13H,9,20-21H2,1-4H3
(3) InChIKey: ZDVQGDLMKMWKJS-UHFFFAOYAH

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