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1282-85-5

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Basic Information
CAS No.: 1282-85-5
Name: isodecylamine
Molecular Structure:
Molecular Structure of 1282-85-5 (isodecylamine)
Formula: C10H23N
Molecular Weight: 157.29632
Synonyms: Isodecylamine(7CI,8CI);
EINECS: 215-064-7
Density: 0.795 g/cm3
Boiling Point: 211.7 °C at 760 mmHg
Flash Point: 82.1 °C
PSA: 26.02000
LogP: 3.64200
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Specification

The Isodecanamine (9CI) is an organic compound with the formula C10H23N. The IUPAC name of this chemical is 8-methylnonan-1-amine. With the CAS registry number 1282-85-5, it is also named as isodecylamine.

Physical properties about Isodecanamine (9CI) are: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 0.84; (3)ACD/LogD (pH 7.4): 1.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.63; (7)ACD/KOC (pH 7.4): 4.37; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.437; (13)Molar Refractivity: 51.87 cm3; (14)Molar Volume: 197.6 cm3; (15)Polarizability: 20.56×10-24cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 0.795 g/cm3; (18)Flash Point: 82.1 °C; (19)Enthalpy of Vaporization: 44.8 kJ/mol; (20)Boiling Point: 211.7 °C at 760 mmHg; (21)Vapour Pressure: 0.18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCCCCCC(C)C
(2)InChI: InChI=1/C10H23N/c1-10(2)8-6-4-3-5-7-9-11/h10H,3-9,11H2,1-2H3
(3)InChIKey: LJQFHDUFUVMPSP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H23N/c1-10(2)8-6-4-3-5-7-9-11/h10H,3-9,11H2,1-2H3
(5)Std. InChIKey: LJQFHDUFUVMPSP-UHFFFAOYSA-N