N-Methoxy-N-methylcyclohexanecarboxamide - CAS 80783-98-8
Catalog: |
BB036549 |
Product Name: |
N-Methoxy-N-methylcyclohexanecarboxamide |
CAS: |
80783-98-8 |
Synonyms: |
N-methoxy-N-methylcyclohexanecarboxamide; N-methoxy-N-methylcyclohexanecarboxamide |
IUPAC Name: | N-methoxy-N-methylcyclohexanecarboxamide |
Description: | N-Methoxy-N-methylcyclohexanecarboxamide (CAS# 80783-98-8) is a useful research chemical. |
Molecular Weight: | 171.24 |
Molecular Formula: | C9H17NO2 |
Canonical SMILES: | CN(C(=O)C1CCCCC1)OC |
InChI: | InChI=1S/C9H17NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3 |
InChI Key: | MVBZPHKLBBUMNK-UHFFFAOYSA-N |
LogP: | 1.58650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021097110-A1 | Therapeutic compounds and methods of use | 20191113 |
US-2017136018-A1 | Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity | 20151117 |
US-10716788-B2 | Methods for treating MS using pyrimidine and pyridine compounds with BTK inhibitory activity | 20151117 |
US-2020316068-A1 | Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity | 20151117 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.125928785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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