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Home > Imidazoles > 93882-61-2
93882-61-2 | LACTIC ACID COMPOUND WITH 2-(HEPTADECENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-ETHANOL (1:1)
CAS No: 93882-61-2 Catalog No: AG005Z6X MDL No:
Product Description
Catalog Number:
AG005Z6X
Chemical Name:
LACTIC ACID COMPOUND WITH 2-(HEPTADECENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-ETHANOL (1:1)
CAS Number:
93882-61-2
Molecular Formula:
C25H48N2O4
Molecular Weight:
440.6596
IUPAC Name:
2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol;2-hydroxypropanoic acid
InChI:
InChI=1S/C22H42N2O.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(4)3(5)6/h16-17,25H,2-15,18-21H2,1H3;2,4H,1H3,(H,5,6)/b17-16+;
InChI Key:
BDKCADCVKJFZAC-CMBBICFISA-N
SMILES:
CC(C(=O)O)O.CCCCCCCCCCCCCCCC=CC1=NCCN1CCO
EC Number:
299-451-6
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
440.361g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
440.669g/mol
Monoisotopic Mass:
440.361g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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