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17414-45-8 | Pyridinium, 1-amino-2-methyl-, bromide (1:1)
CAS No: 17414-45-8 Catalog No: AG001ZHB MDL No:
Product Description
Catalog Number:
AG001ZHB
Chemical Name:
Pyridinium, 1-amino-2-methyl-, bromide (1:1)
CAS Number:
17414-45-8
Molecular Formula:
C6H9BrN2
Molecular Weight:
189.0531
IUPAC Name:
2-methyl-2H-pyridin-1-amine
InChI:
InChI=1S/C6H10N2/c1-6-4-2-3-5-8(6)7/h2-6H,7H2,1H3
InChI Key:
RPWHCKJZTQHSSJ-UHFFFAOYSA-N
SMILES:
Cc1cccc[n+]1N.[Br-]
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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