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87596-97-2 | 1-Hexanaminium, 6-carboxy-N,N,N-trimethyl-
CAS No: 87596-97-2 Catalog No: AG004M3X MDL No:
Product Description
Catalog Number:
AG004M3X
Chemical Name:
1-Hexanaminium, 6-carboxy-N,N,N-trimethyl-
CAS Number:
87596-97-2
Molecular Formula:
C10H22NO2+
Molecular Weight:
188.2872
IUPAC Name:
6-carboxyhexyl(trimethyl)azanium
InChI:
InChI=1S/C10H21NO2/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3/p+1
InChI Key:
JSDADMHUMPHJHI-UHFFFAOYSA-O
SMILES:
OC(=O)CCCCCC[N+](C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.165g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.291g/mol
Monoisotopic Mass:
188.165g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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