Ethyl butyrimidate hydrochloride - CAS 2208-08-4
Catalog: |
BB017354 |
Product Name: |
Ethyl butyrimidate hydrochloride |
CAS: |
2208-08-4 |
Synonyms: |
Butanimidic acid, ethyl ester, hydrochloride (1:1); Butanimidic acid, ethyl ester, monohydrochloride; Butyrimidic acid, ethyl ester, hydrochloride; Ethyl butanimidate monohydrochloride |
Related CAS: | 998-97-0 (free base) 1448663-42-0 (Deleted CAS)
|
IUPAC Name: | ethyl butanimidate;hydrochloride |
Molecular Weight: | 151.63 |
Molecular Formula: | C6H14ClNO |
Canonical SMILES: | CCCC(=N)OCC.Cl |
InChI: | InChI=1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H |
InChI Key: | YGBFFMMKLWVKGU-UHFFFAOYSA-N |
Melting Point: | 64-65°C |
Purity: | ≥95% |
Appearance: | Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD01737439 |
LogP: | 2.70200 |
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 |
EP-3131131-A1 | Light-emission element, and composition used therein | 20140409 |
US-2017117491-A1 | Light emitting device and composition used in the same | 20140409 |
EP-3023477-A1 | Composition, and light-emitting element using same | 20130717 |
EP-3023477-B1 | Composition, and light-emitting element using same | 20130717 |
US-2016164008-A1 | Composition and light emitting device using the same | 20130717 |
Complexity: | 70.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0763918 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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