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888502-48-5 | Pyridinium, 1-(2-aminoethyl)-, bromide
CAS No: 888502-48-5 Catalog No: AG004A54 MDL No:
Product Description
Catalog Number:
AG004A54
Chemical Name:
Pyridinium, 1-(2-aminoethyl)-, bromide
CAS Number:
888502-48-5
Molecular Formula:
C7H11BrN2
Molecular Weight:
203.0796
IUPAC Name:
2-pyridin-1-ium-1-ylethanamine;bromide
InChI:
InChI=1S/C7H11N2.BrH/c8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2;1H/q+1;/p-1
InChI Key:
QBQPBXPLDBGBKP-UHFFFAOYSA-M
SMILES:
NCC[n+]1ccccc1.[Br-]
Properties
Complexity:
67.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.083g/mol
Monoisotopic Mass:
202.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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