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114459-14-2 | 1-Dodecanamine, 12-chloro-N,N-dimethyl-, acetate (1:1)
CAS No: 114459-14-2 Catalog No: AG000EF3 MDL No:
Product Description
Catalog Number:
AG000EF3
Chemical Name:
1-Dodecanamine, 12-chloro-N,N-dimethyl-, acetate (1:1)
CAS Number:
114459-14-2
Molecular Formula:
C16H34ClNO2
Molecular Weight:
307.8997
IUPAC Name:
acetic acid;12-chloro-N,N-dimethyldodecan-1-amine
InChI:
InChI=1S/C14H30ClN.C2H4O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15;1-2(3)4/h3-14H2,1-2H3;1H3,(H,3,4)
InChI Key:
TZVGKCKKFRTDBD-UHFFFAOYSA-N
SMILES:
CC(=O)O.ClCCCCCCCCCCCCN(C)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.228g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.903g/mol
Monoisotopic Mass:
307.228g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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