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1172384-23-4 | 1H-Pyrazole-1-ethanamine, β-methyl-
CAS No: 1172384-23-4 Catalog No: AG000DYH MDL No:MFCD26959597
Product Description
Catalog Number:
AG000DYH
Chemical Name:
1H-Pyrazole-1-ethanamine, β-methyl-
CAS Number:
1172384-23-4
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD26959597
IUPAC Name:
2-pyrazol-1-ylpropan-1-amine
InChI:
InChI=1S/C6H11N3/c1-6(5-7)9-4-2-3-8-9/h2-4,6H,5,7H2,1H3
InChI Key:
GQZZHLYLVWFBAY-UHFFFAOYSA-N
SMILES:
NCC(n1cccn1)C
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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