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1788041-60-0 | 5-Pyrimidinecarboxylic acid, 2-(aminomethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 1788041-60-0 Catalog No: AG0026CB MDL No:
Product Description
Catalog Number:
AG0026CB
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-(aminomethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
1788041-60-0
Molecular Formula:
C7H10ClN3O2
Molecular Weight:
203.6262
IUPAC Name:
methyl 2-(aminomethyl)pyrimidine-5-carboxylate;hydrochloride
InChI:
InChI=1S/C7H9N3O2.ClH/c1-12-7(11)5-3-9-6(2-8)10-4-5;/h3-4H,2,8H2,1H3;1H
InChI Key:
QHOVZTVDHVIBNK-UHFFFAOYSA-N
SMILES:
NCc1ncc(cn1)C(=O)OC.Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.626g/mol
Monoisotopic Mass:
203.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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