CAS No.7381-13-7,1,1'-Isophthaloylbiscaprolactam Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7381-13-7
Name:	1,1'-Isophthaloylbiscaprolactam

Formula:	C₂₀H₂₄N₂O₄
Molecular Weight:	356.422
Synonyms:	2H-Azepin-2-one,1,1'-isophthaloylbis[hexahydro- (7CI,8CI);1,1'-Isophthaloylbiscaprolactam;Isophthaloyl-bis-e-caprolactam;Isophthaloylbis(N-caprolactam);Isophthaloylbiscaprolactam;N,N'-Isophthaloylbis(caprolactam);N,N'-Isophthaloylbis(e-caprolactam);N,N'-Isophthaloyldicaprolactam;N,N'-Isophtaloyl bis caprolactam;1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one;1,1'-(benzene-1,3-diyldicarbonyl)diazepan-2-one;
Density:	1.237 g/cm³
Boiling Point:	593.5 °C at 760 mmHg
Flash Point:	276.7 °C
PSA:	74.76000
LogP:	2.64800

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Specification

The 1,1'-Isophthaloylbiscaprolactam, with the CAS registry number 7381-13-7, has the systematic name of 1,1'-(benzene-1,3-diyldicarbonyl)diazepan-2-one. It is also called 1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one. And the molecular formula of the chemical is C₂₀H₂₄N₂O₄.

The characteristics of 1,1'-Isophthaloylbiscaprolactam are as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 45.89; (8)ACD/KOC (pH 7.4): 45.89; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.76 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 95.77 cm³; (15)Molar Volume: 288.1 cm³; (16)Polarizability: 37.96×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.237 g/cm³; (19)Flash Point: 276.7 °C; (20)Enthalpy of Vaporization: 88.49 kJ/mol; (21)Boiling Point: 593.5 °C at 760 mmHg; (22)Vapour Pressure: 4.66E-14 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c2cccc(C(=O)N1C(=O)CCCCC1)c2)N3C(=O)CCCCC3
(2)InChI: InChI=1/C20H24N2O4/c23-17-10-3-1-5-12-21(17)19(25)15-8-7-9-16(14-15)20(26)22-13-6-2-4-11-18(22)24/h7-9,14H,1-6,10-13H2
(3)InChIKey: HXZRLUTUNSQNCG-UHFFFAOYAR