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89389-94-6 | Pyridinium, 1-(2-carboxyethyl)-4-(dimethylamino)-, bromide
CAS No: 89389-94-6 Catalog No: AG003WBE MDL No:
Product Description
Catalog Number:
AG003WBE
Chemical Name:
Pyridinium, 1-(2-carboxyethyl)-4-(dimethylamino)-, bromide
CAS Number:
89389-94-6
Molecular Formula:
C10H15BrN2O2
Molecular Weight:
275.1423
IUPAC Name:
3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoic acid;bromide
InChI:
InChI=1S/C10H14N2O2.BrH/c1-11(2)9-3-6-12(7-4-9)8-5-10(13)14;/h3-4,6-7H,5,8H2,1-2H3;1H
InChI Key:
CSHMQPKTWGKVNL-UHFFFAOYSA-N
SMILES:
CN(c1cc[n+](cc1)CCC(=O)O)C.[Br-]
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.146g/mol
Monoisotopic Mass:
274.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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