N-(2,5-Dimethylphenyl)formamide - CAS 10113-40-3
Catalog: |
BB000448 |
Product Name: |
N-(2,5-Dimethylphenyl)formamide |
CAS: |
10113-40-3 |
Synonyms: |
N-(2,5-dimethylphenyl)formamide |
IUPAC Name: | N-(2,5-dimethylphenyl)formamide |
Description: | N-(2,5-Dimethylphenyl)formamide (CAS# 10113-40-3 ) is a useful research chemical. |
Molecular Weight: | 149.19 |
Molecular Formula: | C9H11NO |
Canonical SMILES: | CC1=CC(=C(C=C1)C)NC=O |
InChI: | InChI=1S/C9H11NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-6H,1-2H3,(H,10,11) |
InChI Key: | MVFXOAIGZVRARG-UHFFFAOYSA-N |
Boiling Point: | 310.1 °C at 760 mmHg |
Melting Point: | 118-122 °C(lit.) |
Purity: | 95 % |
Density: | 1.075 g/cm3 |
MDL: | MFCD00021006 |
LogP: | 2.58060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2013129674-A1 | Novel benzimidazole derivative and use thereof | 20120301 |
EP-2509978-A1 | Azocyclic inhibitors of fatty acid amide hydrolase | 20091211 |
WO-2011072207-A1 | Azocyclic inhibitors of fatty acid amide hydrolase | 20091211 |
EP-2493886-A1 | Heteroarylpiperidine and -piperazine derivatives | 20091030 |
EP-2493886-B1 | Heteroaryl piperidine and piperazine derivates | 20091030 |
Complexity: | 136 |
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: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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