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83763-68-2 | Hexadecanamide, N-(3-(dimethylamino)propyl)-, monoacetate
CAS No: 83763-68-2 Catalog No: AG004X0P MDL No:
Product Description
Catalog Number:
AG004X0P
Chemical Name:
Hexadecanamide, N-(3-(dimethylamino)propyl)-, monoacetate
CAS Number:
83763-68-2
Molecular Formula:
C23H48N2O3
Molecular Weight:
400.6388
IUPAC Name:
acetic acid;N-[3-(dimethylamino)propyl]hexadecanamide
InChI:
InChI=1S/C21H44N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3;1-2(3)4/h4-20H2,1-3H3,(H,22,24);1H3,(H,3,4)
InChI Key:
YGPACWNYFWZAQU-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCCCC(=O)NCCCN(C)C
EC Number:
280-756-8
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.366g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.648g/mol
Monoisotopic Mass:
400.366g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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