3-Methoxybenzamidoxime - CAS 73647-50-4
Catalog: |
BB034892 |
Product Name: |
3-Methoxybenzamidoxime |
CAS: |
73647-50-4 |
Synonyms: |
N'-hydroxy-3-methoxybenzenecarboximidamide |
IUPAC Name: | N'-hydroxy-3-methoxybenzenecarboximidamide |
Description: | 3-Methoxybenzamidoxime (CAS# 73647-50-4) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | COC1=CC=CC(=C1)C(=NO)N |
InChI: | InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10) |
InChI Key: | CEHMGZTZNNEADY-UHFFFAOYSA-N |
Boiling Point: | 356.5 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD07161438 |
LogP: | 1.49000 |
GHS Hazard Statement: | H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
EP-3215505-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
EP-3215505-B1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
US-10118930-B2 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
US-2017334917-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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