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1733-96-6 | 1-Naphthalenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1)
CAS No: 1733-96-6 Catalog No: AG001YS3 MDL No:
Product Description
Catalog Number:
AG001YS3
Chemical Name:
1-Naphthalenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1)
CAS Number:
1733-96-6
Molecular Formula:
C25H40ClN
Molecular Weight:
390.0448
IUPAC Name:
dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium;chloride
InChI:
InChI=1S/C25H40N.ClH/c1-4-5-6-7-8-9-10-11-12-15-21-26(2,3)22-24-19-16-18-23-17-13-14-20-25(23)24;/h13-14,16-20H,4-12,15,21-22H2,1-3H3;1H/q+1;/p-1
InChI Key:
UTKUXSTWKJCLJX-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+](Cc1cccc2c1cccc2)(C)C.[Cl-]
EC Number:
217-074-7
UNII:
2ZIC77S19B
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.285g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.052g/mol
Monoisotopic Mass:
389.285g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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