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76069-38-0 | 1H-Imidazolium,2-heptadecyl-1,1-bis(2-hydroxyethyl)-, chloride (1:1)
CAS No: 76069-38-0 Catalog No: AG005G7U MDL No:
Product Description
Catalog Number:
AG005G7U
Chemical Name:
1H-Imidazolium,2-heptadecyl-1,1-bis(2-hydroxyethyl)-, chloride (1:1)
CAS Number:
76069-38-0
Molecular Formula:
C24H49ClN2O2
Molecular Weight:
433.1111
IUPAC Name:
2-[2-heptadec-1-enyl-3-(2-hydroxyethyl)imidazolidin-1-ium-1-yl]ethanol;chloride
InChI:
InChI=1S/C24H48N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28;/h16-17,24,27-28H,2-15,18-23H2,1H3;1H
InChI Key:
VFGLNUYBHJHIJF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=CC1N(CCO)CC[NH+]1CCO.[Cl-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.348g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
433.118g/mol
Monoisotopic Mass:
432.348g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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