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131293-23-7 | 1-Octadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1)
CAS No: 131293-23-7 Catalog No: AG000VVS MDL No:
Product Description
Catalog Number:
AG000VVS
Chemical Name:
1-Octadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1)
CAS Number:
131293-23-7
Molecular Formula:
C22H46BrNO2
Molecular Weight:
436.5101
IUPAC Name:
carboxymethyl-dimethyl-octadecylazanium;bromide
InChI:
InChI=1S/C22H45NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25;/h4-21H2,1-3H3;1H
InChI Key:
ZDORHVHYQYGOLM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC[N+](CC(=O)O)(C)C.[Br-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.271g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.519g/mol
Monoisotopic Mass:
435.271g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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