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1365991-89-4 | 4-Pyrimidinemethanol, 6-amino-, hydrochloride (1:1)
CAS No: 1365991-89-4 Catalog No: AG001251 MDL No:MFCD23097074
Product Description
Catalog Number:
AG001251
Chemical Name:
4-Pyrimidinemethanol, 6-amino-, hydrochloride (1:1)
CAS Number:
1365991-89-4
Molecular Formula:
C5H8ClN3O
Molecular Weight:
161.5895
MDL Number:
MFCD23097074
IUPAC Name:
(6-aminopyrimidin-4-yl)methanol;hydrochloride
InChI:
InChI=1S/C5H7N3O.ClH/c6-5-1-4(2-9)7-3-8-5;/h1,3,9H,2H2,(H2,6,7,8);1H
InChI Key:
HKCKUOFNNBPEGO-UHFFFAOYSA-N
SMILES:
Nc1cc(CO)ncn1.Cl
Properties
Complexity:
88.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
161.589g/mol
Monoisotopic Mass:
161.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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