Home Carboxys 3-[2-(dimethylamino)ethyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

3-[2-(dimethylamino)ethyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS No.:
1955548-28-3
Catalog Number:
AG01C6HR
Molecular Formula:
C12H16ClN3O3
Molecular Weight:
285.7267
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Product Description
Catalog Number:
AG01C6HR
Chemical Name:
3-[2-(dimethylamino)ethyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CAS Number:
1955548-28-3
Molecular Formula:
C12H16ClN3O3
Molecular Weight:
285.7267
MDL Number:
MFCD29991512
IUPAC Name:
3-[2-(dimethylamino)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15N3O3.ClH/c1-14(2)5-6-15-10-7-8(11(16)17)3-4-9(10)13-12(15)18;/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,16,17);1H
InChI Key:
DGYCHXQZVOENKV-UHFFFAOYSA-N
SMILES:
CN(CCn1c(=O)[nH]c2c1cc(cc2)C(=O)O)C.Cl
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
285.728g/mol
Monoisotopic Mass:
285.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties