CAS No.40221-52-1,CYCLOOCTYLMETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40221-52-1
Name:	CYCLOOCTYLMETHYLAMINE
Article Data:	4

Formula:	C₉H₁₉N
Molecular Weight:	141.25
Synonyms:	Cyclooctylamine,N-methyl- (7CI);N-Cyclooctyl-N-methylamine;N-Methylcyclooctylamine;1-cyclooctylmethanamine;
Density:	0.847 g/cm³
Boiling Point:	194.5 °C at 760 mmHg
Flash Point:	66.3 °C
PSA:	12.03000
LogP:	2.70960

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Specification

The Cyclooctylmethylamine, with the cas registry number 40221-52-1, has the systematic name of 1-cyclooctylmethanamine. And the molecular formula of the chemical is C₉H₁₉N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.34; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 45.12 cm³; (15)Molar Volume: 166.6 cm³; (16)Polarizability: 17.88×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 0.847 g/cm³; (19)Flash Point: 66.3 °C; (20)Enthalpy of Vaporization: 43.07 kJ/mol; (21)Boiling Point: 194.5 °C at 760 mmHg; (22)Vapour Pressure: 0.439 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCC1CCCCCCC1
(2)InChI: InChI=1/C9H19N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8,10H2
(3)InChIKey: GQOIKWAYFXTZOK-UHFFFAOYAT