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CAS No.: | 1639-31-2 |
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Name: | 3,4,5-Trimethylaniline |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H5BrN2S2 |
Molecular Weight: | 135.209 |
Synonyms: | 3,4,5-Trimethylphenylamine;Benzenamine, 3,4,5-trimethyl-; |
EINECS: | 216-679-3 |
Density: | 0.962 g/cm3 |
Melting Point: | 79-80℃ |
Boiling Point: | 246.9 °C at 760 mmHg |
Flash Point: | 109.6 °C |
PSA: | 26.02000 |
LogP: | 2.77520 |
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The 3,4,5-Trimethylaniline, with the CAS registry number 1639-31-2, is also known as 3,4,5-Trimethylphenylamine. Its EINECS number is 216-679-3. This chemical's molecular formula is C7H5BrN2S2 and molecular weight is 269.34.
Physical properties of 3,4,5-Trimethylaniline are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 21.28; (6)ACD/BCF (pH 7.4): 33.67; (7)ACD/KOC (pH 5.5): 272.06; (8)ACD/KOC (pH 7.4): 430.45; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 44.96 cm3; (15)Molar Volume: 140.5 cm3; (16)Polarizability: 17.82×10-24 cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.962 g/cm3; (19)Flash Point: 109.6 °C; (20)Enthalpy of Vaporization: 48.4 kJ/mol; (21)Boiling Point: 246.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0264 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(c(c(c1)C)C)C
(2)InChI: InChI=1/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
(3)InChIKey: BXCUMAUHMPSRPZ-UHFFFAOYAY