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89-93-0 | 2-Methylbenzylamine
CAS No: 89-93-0 Catalog No: AG0036WQ MDL No:MFCD00008112
Product Description
Catalog Number:
AG0036WQ
Chemical Name:
2-Methylbenzylamine
CAS Number:
89-93-0
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD00008112
IUPAC Name:
(2-methylphenyl)methanamine
InChI:
InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
InChI Key:
CJAAPVQEZPAQNI-UHFFFAOYSA-N
SMILES:
NCc1ccccc1C
EC Number:
201-952-1
NSC Number:
30466
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Pyrazole compound 2-MBAPA as a novel inhibitor of microglial activation and neurotoxicity in vitro and in vivo. | Journal of Alzheimer's disease : JAD 20110101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Synthesis and biological evaluation of novel pyrazole compounds. | Bioorganic & medicinal chemistry 20100801 |
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