2-Methylbenzylamine - CAS 89-93-0
Catalog: |
BB039690 |
Product Name: |
2-Methylbenzylamine |
CAS: |
89-93-0 |
Synonyms: |
(2-methylphenyl)methanamine |
IUPAC Name: | (2-methylphenyl)methanamine |
Description: | 2-Methylbenzylamine (CAS# 89-93-0) is an isomer of Amoxicillin (A634235), a semi-synthetic antibiotic related to penicillin. |
Molecular Weight: | 121.18 |
Molecular Formula: | C8H11N |
Canonical SMILES: | CC1=CC=CC=C1CN |
InChI: | InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3 |
InChI Key: | CJAAPVQEZPAQNI-UHFFFAOYSA-N |
Boiling Point: | 196-197 °C |
Purity: | 95 % |
Density: | 0.977 g/cm3 |
Appearance: | Colorless to light yellow liqui |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00008112 |
LogP: | 2.15400 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21841251 | 20110101 | Pyrazole compound 2-MBAPA as a novel inhibitor of microglial activation and neurotoxicity in vitro and in vivo | Journal of Alzheimer's disease : JAD |
20609589 | 20100801 | Synthesis and biological evaluation of novel pyrazole compounds | Bioorganic & medicinal chemistry |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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