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88596-40-1 | Cyclohexanol, 1,1'-[[(2-chlorophenyl)imino]di-1-propyne-3,1-diyl]bis-
CAS No: 88596-40-1 Catalog No: AG004CVR MDL No:
Product Description
Catalog Number:
AG004CVR
Chemical Name:
Cyclohexanol, 1,1'-[[(2-chlorophenyl)imino]di-1-propyne-3,1-diyl]bis-
CAS Number:
88596-40-1
Molecular Formula:
C24H30ClNO2
Molecular Weight:
399.9535
IUPAC Name:
1-[3-[2-chloro-N-[3-(1-hydroxycyclohexyl)prop-2-ynyl]anilino]prop-1-ynyl]cyclohexan-1-ol
InChI:
InChI=1S/C24H30ClNO2/c25-21-11-3-4-12-22(21)26(19-9-17-23(27)13-5-1-6-14-23)20-10-18-24(28)15-7-2-8-16-24/h3-4,11-12,27-28H,1-2,5-8,13-16,19-20H2
InChI Key:
URVMMBXXJORYKR-UHFFFAOYSA-N
SMILES:
Clc1ccccc1N(CC#CC1(O)CCCCC1)CC#CC1(O)CCCCC1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.197g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.959g/mol
Monoisotopic Mass:
399.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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