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1398504-35-2 | 2-Propyn-1-amine, N,N-dimethyl-3-(1H-pyrazol-4-yl)-
CAS No: 1398504-35-2 Catalog No: AG001BQL MDL No:
Product Description
Catalog Number:
AG001BQL
Chemical Name:
2-Propyn-1-amine, N,N-dimethyl-3-(1H-pyrazol-4-yl)-
CAS Number:
1398504-35-2
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
IUPAC Name:
N,N-dimethyl-3-(1H-pyrazol-4-yl)prop-2-yn-1-amine
InChI:
InChI=1S/C8H11N3/c1-11(2)5-3-4-8-6-9-10-7-8/h6-7H,5H2,1-2H3,(H,9,10)
InChI Key:
HCCHEDONCUCUHB-UHFFFAOYSA-N
SMILES:
CN(CC#Cc1c[nH]nc1)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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