1-(2-Methylphenyl)ethanamine - CAS 42142-17-6
Catalog: |
BB025053 |
Product Name: |
1-(2-Methylphenyl)ethanamine |
CAS: |
42142-17-6 |
Synonyms: |
1-(2-methylphenyl)ethanamine; 1-(2-methylphenyl)ethanamine |
IUPAC Name: | 1-(2-methylphenyl)ethanamine |
Description: | 1-(2-Methylphenyl)ethanamine (CAS# 42142-17-6) is a useful compound for the synthesis and screening of macamides analogs as TNF-α inhibitors. |
Molecular Weight: | 135.21 |
Molecular Formula: | C9H13N |
Canonical SMILES: | CC1=CC=CC=C1C(C)N |
InChI: | InChI=1S/C9H13N/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8H,10H2,1-2H3 |
InChI Key: | ZCDYTNZJBGSKFI-UHFFFAOYSA-N |
Boiling Point: | 209.3 °C at 760 mmHg |
Density: | 0.945 g/cm3 |
LogP: | 2.71500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2017291885-A1 | Method for preparing enamide compound and ruthenium complex catalyst used therein | 20160407 |
EP-3416647-A2 | N3-substituted iminopyrimidinones as antimalarial agents | 20160218 |
WO-2017142825-A2 | N3-substituted iminopyrimidinones as antimalarial agents | 20160218 |
US-10696634-B2 | Pyridine compounds as fungicides | 20151201 |
EP-3328496-A1 | Inhibitors of ack1/tnk2 tyrosine kinase | 20150802 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.104799419 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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