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CAS No.: | 3663-23-8 |
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Name: | 4-butylbenzene-1,2-diamine |
Molecular Structure: | |
Formula: | C10H16N2 |
Molecular Weight: | 164.25 |
Synonyms: | o-Phenylenediamine,4-butyl- (7CI,8CI);2-Amino-4-n-butylaniline;3,4-Diamino-1-butylbenzene;4-Butyl-1,2-benzenediamine;4-Butyl-1,2-phenylenediamine;4-Butyl-o-phenylenediamine; |
EINECS: | 222-917-7 |
Density: | 1.027 g/cm3 |
Boiling Point: | 302.3 °C at 760 mmHg |
Flash Point: | 161.7 °C |
PSA: | 52.04000 |
LogP: | 3.35600 |
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This chemical is called 1,2-Benzenediamine, 4-butyl-, and its systematic name is 4-butylbenzene-1,2-diamine. With the molecular formula of C10H16N2, its molecular weight is 164.25. The CAS registry number of this chemical is 3663-23-8.
Other characteristics of the 1,2-Benzenediamine, 4-butyl- can be summarised as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 20.48; (6)ACD/BCF (pH 7.4): 23.45; (7)ACD/KOC (pH 5.5): 290.55; (8)ACD/KOC (pH 7.4): 332.81; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 53.54 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 21.22×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 161.7 °C; (20)Enthalpy of Vaporization: 54.25 kJ/mol; (21)Boiling Point: 302.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000998 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1ccc(cc1N)CCCC
2.InChI: InChI=1/C10H16N2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,11-12H2,1H3
3.InChIKey: WQEGHHLKDKIWKM-UHFFFAOYAF