Home Aminos 4(3H)-Pyrimidinone, 6-(aminomethyl)-, hydrochloride (1:2)

4(3H)-Pyrimidinone, 6-(aminomethyl)-, hydrochloride (1:2)

CAS No.:
1269054-56-9
Catalog Number:
AG000TFR
Molecular Formula:
C5H9Cl2N3O
Molecular Weight:
198.0505
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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
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
Properties