Home Carboxys 2-(1-aminoethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid hydrochloride

2-(1-aminoethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid hydrochloride

CAS No.:
2138100-62-4
Catalog Number:
AG01ELGG
Molecular Formula:
C7H10ClN3O3
Molecular Weight:
219.6256
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Product Description
Catalog Number:
AG01ELGG
Chemical Name:
2-(1-aminoethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid hydrochloride
CAS Number:
2138100-62-4
Molecular Formula:
C7H10ClN3O3
Molecular Weight:
219.6256
IUPAC Name:
2-(1-aminoethyl)-4-oxo-5H-pyrimidine-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H9N3O3.ClH/c1-3(8)5-9-2-4(7(12)13)6(11)10-5;/h2-4H,8H2,1H3,(H,12,13);1H
InChI Key:
DBRADYRWOOKZKG-UHFFFAOYSA-N
SMILES:
CC(c1ncc(c(=O)[nH]1)C(=O)O)N.Cl
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.625g/mol
Monoisotopic Mass:
219.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties