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38725-13-2

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Basic Information
CAS No.: 38725-13-2
Name: TRIISONONYLAMINE
Molecular Structure:
Molecular Structure of 38725-13-2 (TRIISONONYLAMINE)
Formula: C27H57N
Molecular Weight: 395.7482
Synonyms: Triisononylamine;
EINECS: 254-104-8
Density: 0.82 g/cm3
Boiling Point: 456.6 °C at 760 mmHg
Flash Point: 202.4 °C
PSA: 3.24000
LogP: 9.10790
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Specification

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