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1178253-85-4 | 3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-amine
CAS No: 1178253-85-4 Catalog No: AG01FMFD MDL No:MFCD12156147
Product Description
Catalog Number:
AG01FMFD
Chemical Name:
3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-amine
CAS Number:
1178253-85-4
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD12156147
IUPAC Name:
3-(1-methylpyrazol-4-yl)prop-2-yn-1-amine
InChI:
InChI=1S/C7H9N3/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,4,8H2,1H3
InChI Key:
OUMRGUPLKKYMJZ-UHFFFAOYSA-N
SMILES:
NCC#Cc1cnn(c1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.08g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.17g/mol
Monoisotopic Mass:
135.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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