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1246551-54-1 | 1H-Pyrazole-4-ethanamine, hydrochloride (1:1)
CAS No: 1246551-54-1 Catalog No: AG000MJA MDL No:
Product Description
Catalog Number:
AG000MJA
Chemical Name:
1H-Pyrazole-4-ethanamine, hydrochloride (1:1)
CAS Number:
1246551-54-1
Molecular Formula:
C5H10ClN3
Molecular Weight:
147.6060
IUPAC Name:
2-(1H-pyrazol-4-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C5H9N3.ClH/c6-2-1-5-3-7-8-4-5;/h3-4H,1-2,6H2,(H,7,8);1H
InChI Key:
KTZCTJOTXVLFOJ-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]nc1.Cl
Properties
Complexity:
64.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
147.606g/mol
Monoisotopic Mass:
147.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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