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101395-72-6 | 1H-Pyrazole-1-ethanamine, 5-methyl-
CAS No: 101395-72-6 Catalog No: AG0004EA MDL No:MFCD05053631
Product Description
Catalog Number:
AG0004EA
Chemical Name:
1H-Pyrazole-1-ethanamine, 5-methyl-
CAS Number:
101395-72-6
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD05053631
IUPAC Name:
2-(5-methylpyrazol-1-yl)ethanamine
InChI:
InChI=1S/C6H11N3/c1-6-2-4-8-9(6)5-3-7/h2,4H,3,5,7H2,1H3
InChI Key:
PWGUGJCHHQGZGX-UHFFFAOYSA-N
SMILES:
NCCn1nccc1C
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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