Methyl benzimidate hydrochloride - CAS 5873-90-5
Catalog: |
BB030144 |
Product Name: |
Methyl benzimidate hydrochloride |
CAS: |
5873-90-5 |
Synonyms: |
methyl benzenecarboximidate;hydrochloride |
IUPAC Name: | methyl benzenecarboximidate;hydrochloride |
Description: | Methyl benzimidate hydrochloride (CAS# 5873-90-5) is a useful research chemical. |
Molecular Weight: | 171.62 |
Molecular Formula: | C8H10ClNO |
Canonical SMILES: | COC(=N)C1=CC=CC=C1.Cl |
InChI: | InChI=1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H |
InChI Key: | HDJNHVNQRJMWSH-UHFFFAOYSA-N |
Boiling Point: | 171.1 °C at 760 mmHg |
MDL: | MFCD00012575 |
LogP: | 2.56010 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2018131431-A | Hydrazone derivatives and pest control agents | 20160531 |
AU-2017242225-A1 | N1-(3,3,3-trifluoro-2-hydroxy-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | 20160329 |
CA-3019240-A1 | N1-(3,3,3-trifluoro-2-hydroxy-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | 20160329 |
CN-108779093-A | N1- (tri- fluoro- 2- hydroxy-2-methyls propionos of 3,3,3-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase | 20160329 |
EP-3436443-A1 | N1-(3,3,3-trifluoro-2-hydroxy-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | 20160329 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0450916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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