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1007517-99-8 | 1H-Pyrazole-1-propanamine, N,3,5-trimethyl-
CAS No: 1007517-99-8 Catalog No: AG0002SU MDL No:MFCD08687688
Product Description
Catalog Number:
AG0002SU
Chemical Name:
1H-Pyrazole-1-propanamine, N,3,5-trimethyl-
CAS Number:
1007517-99-8
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD08687688
IUPAC Name:
3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine
InChI:
InChI=1S/C9H17N3/c1-8-7-9(2)12(11-8)6-4-5-10-3/h7,10H,4-6H2,1-3H3
InChI Key:
YXVLUSBODIHODU-UHFFFAOYSA-N
SMILES:
CNCCCn1nc(cc1C)C
Properties
Complexity:
127
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:
4
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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