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30413-67-3 | Pyridinium, 1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, chloride (1:1)
CAS No: 30413-67-3 Catalog No: AG003022 MDL No:
Product Description
Catalog Number:
AG003022
Chemical Name:
Pyridinium, 1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, chloride (1:1)
CAS Number:
30413-67-3
Molecular Formula:
C11H13ClN4
Molecular Weight:
236.7007
IUPAC Name:
2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-amine;chloride
InChI:
InChI=1S/C11H13N4.ClH/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15;/h2-7H,8H2,1H3,(H2,12,13,14);1H/q+1;/p-1
InChI Key:
NDLUAJDGLDYARA-UHFFFAOYSA-M
SMILES:
Cc1ncc(c(n1)N)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.703g/mol
Monoisotopic Mass:
236.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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