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7173-57-1

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Basic Information
CAS No.: 7173-57-1
Name: 3-aminopropyl(octyl)amine
Article Data: 3
Molecular Structure:
Molecular Structure of 7173-57-1 (3-aminopropyl(octyl)amine)
Formula: C11H26N2
Molecular Weight: 186.341
Synonyms: 1,3-Propanediamine,N-octyl- (7CI,8CI,9CI);N-Octyl-1,3-diaminopropane;N-Octyl-1,3-propylenediamine;N-Octylpropylenediamine;N-Octyltrimethylenediamine;
EINECS: 230-526-8
Density: 0.837 g/cm3
Boiling Point: 264.5 °C at 760 mmHg
Flash Point: 131.3 °C
PSA: 38.05000
LogP: 3.37650
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Specification

The 1,3-Propanediamine,N1-octyl- is an organic compound with the formula C11H26N2. The IUPAC name of this chemical is N'-octylpropane-1,3-diamine. With the CAS registry number 7173-57-1, it is also named as 3-aminopropyl(octyl)amine.

Physical properties about 1,3-Propanediamine,N1-octyl- are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): -1.17; (3)ACD/LogD (pH 7.4): -0.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 60.14 cm3; (14)Molar Volume: 222.6 cm3; (15)Polarizability: 23.84×10-24cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 0.837 g/cm3; (18)Flash Point: 131.3 °C; (19)Enthalpy of Vaporization: 50.24 kJ/mol; (20)Boiling Point: 264.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00968 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCNCCCCCCCC
(2)InChI: InChI=1/C11H26N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-12H2,1H3
(3)InChIKey: KPZNJYFFUWANHA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H26N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-12H2,1H3
(5)Std. InChIKey: KPZNJYFFUWANHA-UHFFFAOYSA-N