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14465-74-8 | Benzenamine, N-2-propyn-1-yl-
CAS No: 14465-74-8 Catalog No: AG001JXV MDL No:
Product Description
Catalog Number:
AG001JXV
Chemical Name:
Benzenamine, N-2-propyn-1-yl-
CAS Number:
14465-74-8
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
N-prop-2-ynylaniline
InChI:
InChI=1S/C9H9N/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7,10H,8H2
InChI Key:
IZKIWEYIOKPHLF-UHFFFAOYSA-N
SMILES:
C#CCNc1ccccc1
NSC Number:
202884
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| [Development of novel methods for synthesis of heterocyclic compounds catalyzed by transition metals in fluorinated alcohols]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20080801 |
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