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26271-97-6 | Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-octadecyl-, chloride (1:1)
CAS No: 26271-97-6 Catalog No: AG002SK4 MDL No:
Product Description
Catalog Number:
AG002SK4
Chemical Name:
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-octadecyl-, chloride (1:1)
CAS Number:
26271-97-6
Molecular Formula:
C29H54ClNO2
Molecular Weight:
484.1976
IUPAC Name:
benzyl-bis(2-hydroxyethyl)-octadecylazanium;chloride
InChI:
InChI=1S/C29H54NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29;/h17-19,21-22,31-32H,2-16,20,23-28H2,1H3;1H/q+1;/p-1
InChI Key:
AYRXBFHUMVFQCM-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO.[Cl-]
EC Number:
247-576-1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.384g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
484.206g/mol
Monoisotopic Mass:
483.384g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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