Home Carboxys 2-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid hydrochloride

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

CAS No.:
1955539-98-6
Catalog Number:
AG01C5Q1
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.6861
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Product Description
Catalog Number:
AG01C5Q1
Chemical Name:
2-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid hydrochloride
CAS Number:
1955539-98-6
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.6861
MDL Number:
MFCD29991473
IUPAC Name:
2-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H12N2O2.ClH/c14-11(15)9-6-12-10(13-7-9)8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H,12,13)(H,14,15);1H
InChI Key:
ATQQSWFXWDZKGE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNC(=NC1)c1ccccc1.Cl
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.067g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
240.687g/mol
Monoisotopic Mass:
240.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties