Home Carboxys 1,4,5,6-tetrahydropyrimidine-4-carboxylic acid hydrochloride

1,4,5,6-tetrahydropyrimidine-4-carboxylic acid hydrochloride

CAS No.:
1909347-71-2
Catalog Number:
AG01B2FF
Molecular Formula:
C5H9ClN2O2
Molecular Weight:
164.5902
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Product Description
Catalog Number:
AG01B2FF
Chemical Name:
1,4,5,6-tetrahydropyrimidine-4-carboxylic acid hydrochloride
CAS Number:
1909347-71-2
Molecular Formula:
C5H9ClN2O2
Molecular Weight:
164.5902
MDL Number:
MFCD29907407
IUPAC Name:
1,4,5,6-tetrahydropyrimidine-6-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H8N2O2.ClH/c8-5(9)4-1-2-6-3-7-4;/h3-4H,1-2H2,(H,6,7)(H,8,9);1H
InChI Key:
SGDKBBMCBFHNLV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCNC=N1.Cl
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
164.589g/mol
Monoisotopic Mass:
164.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties