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1269054-56-9 | 4(3H)-Pyrimidinone, 6-(aminomethyl)-, hydrochloride (1:2)
CAS No: 1269054-56-9 Catalog No: AG000TFR MDL No:MFCD18483522
Product Description
Catalog Number:
AG000TFR
Chemical Name:
4(3H)-Pyrimidinone, 6-(aminomethyl)-, hydrochloride (1:2)
CAS Number:
1269054-56-9
Molecular Formula:
C5H9Cl2N3O
Molecular Weight:
198.0505
MDL Number:
MFCD18483522
IUPAC Name:
4-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride
InChI:
InChI=1S/C5H7N3O.2ClH/c6-2-4-1-5(9)8-3-7-4;;/h1,3H,2,6H2,(H,7,8,9);2*1H
InChI Key:
PVZURJYIHWJAEG-UHFFFAOYSA-N
SMILES:
NCc1nc[nH]c(=O)c1.Cl.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
198.047g/mol
Monoisotopic Mass:
197.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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