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23267-08-5 | 1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride, (Z)- (9CI)
CAS No: 23267-08-5 Catalog No: AG002MQ4 MDL No:
Product Description
Catalog Number:
AG002MQ4
Chemical Name:
1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride, (Z)- (9CI)
CAS Number:
23267-08-5
Molecular Formula:
C29H49ClN2O
Molecular Weight:
477.1652
IUPAC Name:
2-(1-benzyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;chloride
InChI:
InChI=1S/C29H49N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-30-23-24-31(29,25-26-32)27-28-20-17-16-18-21-28;/h9-10,16-18,20-21,32H,2-8,11-15,19,22-27H2,1H3;1H/q+1;/p-1
InChI Key:
VDRVLQAOZMIURF-UHFFFAOYSA-M
SMILES:
CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1.[Cl-]
EC Number:
245-541-5
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.353g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.174g/mol
Monoisotopic Mass:
476.353g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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