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206752-43-4 | 1-Octadecanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride, hydrate (1:1:1)
CAS No: 206752-43-4 Catalog No: AG002INQ MDL No:MFCD00149986
Product Description
Catalog Number:
AG002INQ
Chemical Name:
1-Octadecanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride, hydrate (1:1:1)
CAS Number:
206752-43-4
Molecular Formula:
C27H52ClNO
Molecular Weight:
442.1609
MDL Number:
MFCD00149986
IUPAC Name:
benzyl-dimethyl-octadecylazanium;chloride;hydrate
InChI:
InChI=1S/C27H50N.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H;1H2/q+1;;/p-1
InChI Key:
MEAWKEQKQGFJHS-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.O.[Cl-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.374g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.169g/mol
Monoisotopic Mass:
441.374g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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