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70579-05-4 | Benzenemethanaminium, N-dodecyl-4-formyl-N,N-dimethyl-, chloride
CAS No: 70579-05-4 Catalog No: AG005HR8 MDL No:
Product Description
Catalog Number:
AG005HR8
Chemical Name:
Benzenemethanaminium, N-dodecyl-4-formyl-N,N-dimethyl-, chloride
CAS Number:
70579-05-4
Molecular Formula:
C22H38ClNO
Molecular Weight:
367.9962
IUPAC Name:
dodecyl-[(4-formylphenyl)methyl]-dimethylazanium;chloride
InChI:
InChI=1S/C22H38NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-18-23(2,3)19-21-14-16-22(20-24)17-15-21;/h14-17,20H,4-13,18-19H2,1-3H3;1H/q+1;/p-1
InChI Key:
GBLDMGAOFNHPTF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+](Cc1ccc(cc1)C=O)(C)C.[Cl-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.264g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.002g/mol
Monoisotopic Mass:
367.264g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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