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1007501-25-8 | 1H-Pyrazole-4-methanamine, N,α,1,3,5-pentamethyl-
CAS No: 1007501-25-8 Catalog No: AG0002T0 MDL No:MFCD08060064
Product Description
Catalog Number:
AG0002T0
Chemical Name:
1H-Pyrazole-4-methanamine, N,α,1,3,5-pentamethyl-
CAS Number:
1007501-25-8
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD08060064
IUPAC Name:
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
InChI:
InChI=1S/C9H17N3/c1-6(10-4)9-7(2)11-12(5)8(9)3/h6,10H,1-5H3
InChI Key:
XFCLJDYNDBQSHW-UHFFFAOYSA-N
SMILES:
CNC(c1c(C)nn(c1C)C)C
Properties
Complexity:
149
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:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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