Basic Information | Post buying leads | Suppliers |
Name |
Isononanamine,N,N-diisononyl- (9CI) |
EINECS | 254-104-8 |
CAS No. | 38725-13-2 | Density | 0.82 g/cm3 |
PSA | 3.24000 | LogP | 9.10790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H57N | Boiling Point | 456.6 °C at 760 mmHg |
Molecular Weight | 395.7482 | Flash Point | 202.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Triisononylamine; |
The Isononanamine,N,N-diisononyl- (9CI), with CAS registry number 38725-13-2, has the systematic name of 7-methyl-N,N-bis(7-methyloctyl)octan-1-amine. Besides this, it is also called Triisononylamine. And the chemical formula of this chemical is C27H57N. What's more, its EINECS is 254-104-8.
Physical properties of Isononanamine,N,N-diisononyl- (9CI): (1)ACD/LogP: 12.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.19; (4)ACD/LogD (pH 7.4): 9.91; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 93866.23; (8)ACD/KOC (pH 7.4): 492688.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 130.73 cm3; (15)Molar Volume: 482.6 cm3; (16)Polarizability: 51.82×10-24cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 0.82 g/cm3; (19)Flash Point: 202.4 °C; (20)Enthalpy of Vaporization: 71.66 kJ/mol; (21)Boiling Point: 456.6 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(CCCCCCC(C)C)(CCCCCCC(C)C)CCCCCCC(C)C
(2)InChI: InChI=1/C27H57N/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3
(3)InChIKey: YGLJGOMFUHQSBN-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C27H57N/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3
(5)Std. InChIKey: YGLJGOMFUHQSBN-UHFFFAOYSA-N