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19855-61-9 | 1-Octadecanamine, N,N-dimethyl-, acetate (1:1)
CAS No: 19855-61-9 Catalog No: AG002BM8 MDL No:
Product Description
Catalog Number:
AG002BM8
Chemical Name:
1-Octadecanamine, N,N-dimethyl-, acetate (1:1)
CAS Number:
19855-61-9
Molecular Formula:
C22H47NO2
Molecular Weight:
357.6141
IUPAC Name:
acetic acid;N,N-dimethyloctadecan-1-amine
InChI:
InChI=1S/C20H43N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2(3)4/h4-20H2,1-3H3;1H3,(H,3,4)
InChI Key:
UUPXKAJPMYOPLF-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCCCCCCN(C)C
EC Number:
243-377-9
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.361g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.623g/mol
Monoisotopic Mass:
357.361g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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