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37599-58-9 | 3-(Aminomethyl)pyrazole
CAS No: 37599-58-9 Catalog No: AG0038S1 MDL No:MFCD03422532
Product Description
Catalog Number:
AG0038S1
Chemical Name:
3-(Aminomethyl)pyrazole
CAS Number:
37599-58-9
Molecular Formula:
C4H7N3
Molecular Weight:
97.1185
MDL Number:
MFCD03422532
IUPAC Name:
1H-pyrazol-5-ylmethanamine
InChI:
InChI=1S/C4H7N3/c5-3-4-1-2-6-7-4/h1-2H,3,5H2,(H,6,7)
InChI Key:
IYSPNYLFKSTATA-UHFFFAOYSA-N
SMILES:
NCc1cc[nH]n1
Properties
Complexity:
54.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.064g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
97.121g/mol
Monoisotopic Mass:
97.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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