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CAS No.: | 4441-59-2 |
---|---|
Name: | 4-CYCLOHEXYL-BUTYLAMINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H21N |
Molecular Weight: | 155.283 |
Synonyms: | Cyclohexanebutylamine(6CI,7CI,8CI);4-Aminobutylcyclohexane;4-Cyclohexylbutylamine; |
Density: | 0.859 g/cm3 |
Boiling Point: | 212.7 °C at 760 mmHg |
Flash Point: | 77.6 °C |
PSA: | 26.02000 |
LogP: | 3.39600 |
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The systematic name of 4-Cyclohexylbutylamine is 4-Cyclohexylbutan-1-amine. With the CAS registry number 4441-59-2, it is also named as 4-Aminobutylcyclohexane. In addition, its molecular formula is C10H21N and its molecular weight is 155.28.
The other characteristics of 4-Cyclohexylbutylamine can be summarized as: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.57; (8)ACD/KOC (pH 7.4): 2.62; (9)H bond acceptors: 1; (10)H bond donors: 2; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 49.79 cm3; (15)Molar Volume: 180.7 cm3; (16)Polarizability: 19.74×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.859 g/cm3; (19)Flash Point: 77.6 °C; (20)Enthalpy of Vaporization: 44.9 kJ/mol; (21)Boiling Point: 212.7 °C at 760 mmHg; (22)Vapour Pressure: 0.17 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:NCCCCC1CCCCC1
(2)InChI:InChI=1/C10H21N/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-9,11H2
(3)InChIKey:NQJLVGQKPMVHTD-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C10H21N/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-9,11H2
(5)Std. InChIKey:NQJLVGQKPMVHTD-UHFFFAOYSA-N