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1015846-20-4 | 1H-Pyrazole-4-ethanamine, 1-ethyl-3,5-dimethyl-
CAS No: 1015846-20-4 Catalog No: AG0004VT MDL No:MFCD06804128
Product Description
Catalog Number:
AG0004VT
Chemical Name:
1H-Pyrazole-4-ethanamine, 1-ethyl-3,5-dimethyl-
CAS Number:
1015846-20-4
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD06804128
IUPAC Name:
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
InChI:
InChI=1S/C9H17N3/c1-4-12-8(3)9(5-6-10)7(2)11-12/h4-6,10H2,1-3H3
InChI Key:
NFHRVFQYIGFFNZ-UHFFFAOYSA-N
SMILES:
NCCc1c(C)nn(c1C)CC
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.256g/mol
Monoisotopic Mass:
167.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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