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CAS No.: | 6406-67-3 |
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Name: | N1,N1,6-trimethylbenzene-1,3-diamine |
Molecular Structure: | |
Formula: | C9H14N2 |
Molecular Weight: | 150.224 |
Synonyms: | 3-Dimethylamino-4-methylaniline;4-Amino-2-(dimethylamino)toluene;2-Dimethylamino-4-aminotoluene;3-(Dimethylamino)-p-toluidine;Toluene-2,4-diamine,N2,N2-dimethyl- (8CI);N1,N1,6-Trimethylbenzene-1,3-diamine;N3,N3,4-Trimethylbenzene-1,3-diamine;3-N,N-dimethylamino-p-toluidine; |
Density: | 1.029 g/cm3 |
Boiling Point: | 249.7 °C at 760 mmHg |
Flash Point: | 93.9 °C |
Solubility: | at 25 deg C (mg/L): 2193 |
PSA: | 29.26000 |
LogP: | 2.22440 |
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The 1,3-Benzenediamine,N3,N3,4-trimethyl-, with the CAS registry number 6406-67-3, is also known as N1,N1,6-Trimethylbenzene-1,3-diamine. It belongs to the product category of Amineprimary. This chemical's molecular formula is C9H14N2 and molecular weight is 150.22. What's more, its systematic name is N3,N3,4-Trimethylbenzene-1,3-diamine.
Physical properties of 1,3-Benzenediamine,N3,N3,4-trimethyl- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 49.62 cm3; (9)Molar Volume: 145.9 cm3; (10)Polarizability: 19.67×10-24 cm3; (11)Surface Tension: 42.5 dyne/cm; (12)Density: 1.029 g/cm3; (13)Flash Point: 93.9 °C; (14)Enthalpy of Vaporization: 48.69 kJ/mol; (15)Boiling Point: 249.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0226 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)N)N(C)C
(2)InChI: InChI=1S/C9H14N2/c1-7-4-5-8(10)6-9(7)11(2)3/h4-6H,10H2,1-3H3
(3)InChIKey: BZFRCCRHMACPGO-UHFFFAOYSA-N