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4088-37-3
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Basic Information
CAS No.: 4088-37-3
Name: 1-Octanamine,N,N-diethyl-
Molecular Structure:
Molecular Structure of 4088-37-3 (1-Octanamine,N,N-diethyl-)
Formula: C12H27N
Molecular Weight: 185.353
Synonyms: Octylamine,N,N-diethyl- (6CI,7CI,8CI);Octylamine, diethyl- (4CI);Diethyloctylamine;N,N-Diethyloctylamine;N-Octyldiethylamine;NSC 103;
EINECS: 230-939-3
Density: 0.792 g/cm3
Melting Point: −57 °C(lit.)
Boiling Point: 222.2 °C at 760 mmHg
Flash Point: 77.4 °C
Hazard Symbols: T
Risk Codes: 25-37/38-41
Safety: 26-39-45
PSA: 3.24000
LogP: 3.68870
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Specification

The 1-Octanamine,N,N-diethyl- is an organic compound with the formula C12H27N. The IUPAC name of this chemical is N,N-diethyloctan-1-amine. With the CAS registry number 4088-37-3, it is also named as Diethyloctylamine.

Physical properties about 1-Octanamine,N,N-diethyl- are: (1)ACD/LogP: 4.85; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 3.24 Å2; (5)Index of Refraction: 1.437; (6)Molar Refractivity: 61.36 cm3; (7)Molar Volume: 233.8 cm3; (8)Polarizability: 24.32×10-24cm3; (9)Surface Tension: 27.4 dyne/cm; (10)Density: 0.792 g/cm3; (11)Flash Point: 77.4 °C; (12)Enthalpy of Vaporization: 45.87 kJ/mol; (13)Boiling Point: 222.2 °C at 760 mmHg; (14)Vapour Pressure: 0.103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(CCCCCCCC)(CC)CC
(2)InChI: InChI=1/C12H27N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4-12H2,1-3H3
(3)InChIKey: BVUGARXRRGZONH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H27N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4-12H2,1-3H3
(5)Std. InChIKey: BVUGARXRRGZONH-UHFFFAOYSA-N