2'-Amino-6'-methylacetophenone - CAS 4127-56-4
Catalog: |
BB024845 |
Product Name: |
2'-Amino-6'-methylacetophenone |
CAS: |
4127-56-4 |
Synonyms: |
1-(2-amino-6-methylphenyl)ethanone; 1-(2-amino-6-methylphenyl)ethanone |
IUPAC Name: | 1-(2-amino-6-methylphenyl)ethanone |
Description: | 2'-Amino-6'-methylacetophenone (CAS# 4127-56-4) is a useful research chemical. |
Molecular Weight: | 149.19 |
Molecular Formula: | C9H11NO |
Canonical SMILES: | CC1=C(C(=CC=C1)N)C(=O)C |
InChI: | InChI=1S/C9H11NO/c1-6-4-3-5-8(10)9(6)7(2)11/h3-5H,10H2,1-2H3 |
InChI Key: | FCFCALLCKMWREK-UHFFFAOYSA-N |
LogP: | 2.36100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-102004032263-A1 | 8- [3-Amino-piperidin-1yl] -xanthines, their preparation and their use as pharmaceuticals | 20040703 |
DE-102004012921-A1 | 8- [3-Amino-piperidin-1-yl] -xanthines, their preparation and their use as pharmaceuticals | 20040317 |
AU-2005219508-A1 | 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use in the form of a DPP inhibitor | 20040218 |
AU-2005219508-B2 | 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use in the form of a DPP inhibitor | 20040218 |
AU-2012202850-A1 | 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use in the form of a DPP inhibitor | 20040218 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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