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28465-91-0 | 1H-Pyrazol-4-amine, N,N-diethyl-
CAS No: 28465-91-0 Catalog No: AG002VDA MDL No:
Product Description
Catalog Number:
AG002VDA
Chemical Name:
1H-Pyrazol-4-amine, N,N-diethyl-
CAS Number:
28465-91-0
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
IUPAC Name:
N,N-diethyl-1H-pyrazol-4-amine
InChI:
InChI=1S/C7H13N3/c1-3-10(4-2)7-5-8-9-6-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChI Key:
GDFXUNMNTXOVGI-UHFFFAOYSA-N
SMILES:
CCN(c1c[nH]nc1)CC
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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