Home Carboxys 1-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxylic acid hydrochloride

1-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxylic acid hydrochloride

CAS No.:
1909318-81-5
Catalog Number:
AG01C3CD
Molecular Formula:
C8H14ClN3O2
Molecular Weight:
219.6687
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Product Description
Catalog Number:
AG01C3CD
Chemical Name:
1-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxylic acid hydrochloride
CAS Number:
1909318-81-5
Molecular Formula:
C8H14ClN3O2
Molecular Weight:
219.6687
MDL Number:
MFCD29060405
IUPAC Name:
1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H13N3O2.ClH/c1-10(2)3-4-11-6-7(5-9-11)8(12)13;/h5-6H,3-4H2,1-2H3,(H,12,13);1H
InChI Key:
ITIHCRBPLKVZHN-UHFFFAOYSA-N
SMILES:
CN(CCn1ncc(c1)C(=O)O)C.Cl
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.077g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.669g/mol
Monoisotopic Mass:
219.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties