4-Cyclohexylbutylamine supplier

Name
4-CYCLOHEXYL-BUTYLAMINE
EINECS
CAS No. 4441-59-2
Article Data4
CAS DataBase
Density 0.859 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₁N
Boiling Point 212.7 °C at 760 mmHg
Molecular Weight 155.283
Flash Point 77.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanebutylamine(6CI,7CI,8CI);4-Aminobutylcyclohexane;4-Cyclohexylbutylamine;
PSA 26.02000
LogP 3.39600

4-Cyclohexylbutylamine 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

Product Name

4-CYCLOHEXYL-BUTYLAMINE

4-Cyclohexylbutylamine Specification

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