Isopropyl formimidate hydrochloride - CAS 16694-44-3
Catalog: |
BB012338 |
Product Name: |
Isopropyl formimidate hydrochloride |
CAS: |
16694-44-3 |
Synonyms: |
propan-2-yl methanimidate;hydrochloride |
IUPAC Name: | propan-2-yl methanimidate;hydrochloride |
Description: | Isopropyl formimidate hydrochloride (CAS# 16694-44-3 ) is a useful research chemical. |
Molecular Weight: | 123.58 |
Molecular Formula: | C4H10ClNO |
Canonical SMILES: | CC(C)OC=N.Cl |
InChI: | InChI=1S/C4H9NO.ClH/c1-4(2)6-3-5;/h3-5H,1-2H3;1H |
InChI Key: | NWCBOWOTHFLANG-UHFFFAOYSA-N |
Boiling Point: | 112.7 °C at 760 mmHg |
MDL: | MFCD00075345 |
LogP: | 1.92020 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3347008-A1 | Beta-lactamase inhibitors | 20150911 |
US-10399996-B2 | Beta-lactamase inhibitors | 20150911 |
US-2017073360-A1 | Beta-lactamase inhibitors | 20150911 |
US-2020055877-A1 | Beta-lactamase inhibitors | 20150911 |
WO-2017044828-A1 | Beta-lactamase inhibitors | 20150911 |
Complexity: | 42.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.0450916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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