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100859-15-2 | 1-Dodecanaminium, N,N,N-trimethyl-, formate (1:1)
CAS No: 100859-15-2 Catalog No: AG000317 MDL No:
Product Description
Catalog Number:
AG000317
Chemical Name:
1-Dodecanaminium, N,N,N-trimethyl-, formate (1:1)
CAS Number:
100859-15-2
Molecular Formula:
C16H35NO2
Molecular Weight:
273.4546
IUPAC Name:
dodecyl(trimethyl)azanium;formate
InChI:
InChI=1S/C15H34N.CH2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;2-1-3/h5-15H2,1-4H3;1H,(H,2,3)/q+1;/p-1
InChI Key:
HZLYVUIWOZITJF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+](C)(C)C.[O-]C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.267g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.461g/mol
Monoisotopic Mass:
273.267g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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