-
Name
3-aminopropyl(octyl)amine
- EINECS 230-526-8
- CAS No. 7173-57-1
- Article Data3
- CAS DataBase
- Density 0.837 g/cm3
- Solubility
- Melting Point
- Formula C11H26N2
- Boiling Point 264.5 °C at 760 mmHg
- Molecular Weight 186.341
- Flash Point 131.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,3-Propanediamine,N-octyl- (7CI,8CI,9CI);N-Octyl-1,3-diaminopropane;N-Octyl-1,3-propylenediamine;N-Octylpropylenediamine;N-Octyltrimethylenediamine;
- PSA 38.05000
- LogP 3.37650
1,3-Propanediamine,N1-octyl- 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
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