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1015845-79-0 | 1H-Pyrazole-4-methanamine, 1-ethyl-N-(1-methylethyl)-
CAS No: 1015845-79-0 Catalog No: AG0004V8 MDL No:MFCD08691485
Product Description
Catalog Number:
AG0004V8
Chemical Name:
1H-Pyrazole-4-methanamine, 1-ethyl-N-(1-methylethyl)-
CAS Number:
1015845-79-0
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD08691485
IUPAC Name:
N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
InChI:
InChI=1S/C9H17N3/c1-4-12-7-9(6-11-12)5-10-8(2)3/h6-8,10H,4-5H2,1-3H3
InChI Key:
KWQPUHNIFAGYSP-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)CNC(C)C
Properties
Complexity:
125
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:
0.7
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