Ethyl 2-Chloroacetimidate Hydrochloride - CAS 36743-66-5
Catalog: |
BB023059 |
Product Name: |
Ethyl 2-Chloroacetimidate Hydrochloride |
CAS: |
36743-66-5 |
Synonyms: |
2-chloroethanimidic acid ethyl ester;hydrochloride; ethyl 2-chloroethanimidate;hydrochloride |
IUPAC Name: | ethyl 2-chloroethanimidate;hydrochloride |
Description: | Ethyl 2-Chloroacetimidate Hydrochloride (CAS# 36743-66-5) is an intermediate in the synthesis of f Phentolamine-d4 Hydrochloride A labelled Phentolamine (P302550) which is an adrenergic blocking agent. An antihypertensive. Used for the treatment of pheochromocytoma. |
Molecular Weight: | 158.03 |
Molecular Formula: | C4H9Cl2NO |
Canonical SMILES: | CCOC(=N)CCl.Cl |
InChI: | InChI=1S/C4H8ClNO.ClH/c1-2-7-4(6)3-5;/h6H,2-3H2,1H3;1H |
InChI Key: | BGWMHFKCAUBYJJ-UHFFFAOYSA-N |
Boiling Point: | 160.7 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
LogP: | 2.14070 |
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 |
CN-113350296-A | PAD4 inhibitor loaded by CRGD sequence peptide modified chitosan and preparation method and application thereof | 20210611 |
CN-111848544-A | Amino acid derivative capable of being traced by fluorescence and preparation method and application thereof | 20200803 |
AU-2018289759-A1 | Alpha, beta-unsaturated amide compound | 20170623 |
CA-3068158-A1 | .alpha.,.beta.-unsaturated amide compound | 20170623 |
CN-110770211-A | α unsaturated amide compound | 20170623 |
Complexity: | 64.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0061193 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0061193 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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