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821015-88-7 | 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxododecyl)oxy]-, bromide
CAS No: 821015-88-7 Catalog No: AG0051IS MDL No:
Product Description
Catalog Number:
AG0051IS
Chemical Name:
1-Propanaminium, N,N,N-trimethyl-3-[(1-oxododecyl)oxy]-, bromide
CAS Number:
821015-88-7
Molecular Formula:
C18H38BrNO2
Molecular Weight:
380.4038
IUPAC Name:
3-dodecanoyloxypropyl(trimethyl)azanium;bromide
InChI:
InChI=1S/C18H38NO2.BrH/c1-5-6-7-8-9-10-11-12-13-15-18(20)21-17-14-16-19(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChI Key:
KILHXMPVHWNFLT-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC(=O)OCCC[N+](C)(C)C.[Br-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.209g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.411g/mol
Monoisotopic Mass:
379.209g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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