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Cyclohexanebutanamine (4441-59-2)

Identification
Name:Cyclohexanebutanamine
Synonyms:Cyclohexanebutylamine(6CI,7CI,8CI);4-Aminobutylcyclohexane;4-Cyclohexylbutylamine;
CAS:4441-59-2
Molecular Formula: C10H21N
Molecular Weight: 155.28
InChI: InChI=1/C10H21N/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-9,11H2
Molecular Structure: (C10H21N) Cyclohexanebutylamine(6CI,7CI,8CI);4-Aminobutylcyclohexane;4-Cyclohexylbutylamine;
Properties
Flash Point: 212.7 °C at 760 mmHg
Boiling Point: 212.7 °C at 760 mmHg
Density:0.859 g/cm3
Refractive index:1.463
Specification:

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

Flash Point: 212.7 °C at 760 mmHg
Safety Data
 

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