Home Aminos 1H-Pyrazole-4-propanoic acid, α-amino-, hydrochloride (1:2)

1H-Pyrazole-4-propanoic acid, α-amino-, hydrochloride (1:2)

CAS No.:
1803566-40-6
Catalog Number:
AG0021XB
Molecular Formula:
C6H11Cl2N3O2
Molecular Weight:
228.0764
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Product Description
Catalog Number:
AG0021XB
Chemical Name:
1H-Pyrazole-4-propanoic acid, α-amino-, hydrochloride (1:2)
CAS Number:
1803566-40-6
Molecular Formula:
C6H11Cl2N3O2
Molecular Weight:
228.0764
MDL Number:
MFCD28383806
IUPAC Name:
2-amino-3-(1H-pyrazol-4-yl)propanoic acid;dihydrochloride
InChI:
InChI=1S/C6H9N3O2.2ClH/c7-5(6(10)11)1-4-2-8-9-3-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2*1H
InChI Key:
XXTQKDWDNZJAND-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1c[nH]nc1)N.Cl.Cl
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
228.073g/mol
Monoisotopic Mass:
227.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties