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Home > Aldehydes > 205313-04-8
205313-04-8 | 3-Pyridinecarboxaldehyde, 4,6-diamino-, hydrochloride (1:1)
CAS No: 205313-04-8 Catalog No: AG0029ZJ MDL No:MFCD26743643
Product Description
Catalog Number:
AG0029ZJ
Chemical Name:
3-Pyridinecarboxaldehyde, 4,6-diamino-, hydrochloride (1:1)
CAS Number:
205313-04-8
Molecular Formula:
C6H8ClN3O
Molecular Weight:
173.6002
MDL Number:
MFCD26743643
IUPAC Name:
4,6-diaminopyridine-3-carbaldehyde;hydrochloride
InChI:
InChI=1S/C6H7N3O.ClH/c7-5-1-6(8)9-2-4(5)3-10;/h1-3H,(H4,7,8,9);1H
InChI Key:
LIECCSZBKUJTGX-UHFFFAOYSA-N
SMILES:
Nc1cc(N)ncc1C=O.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.6g/mol
Monoisotopic Mass:
173.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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