Basic information
- CAS
998-97-0- Standard SMILES
CCCC(=N)OCC- InChIKey
JEZVIUQRUWOXRY-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- Ethyl butyrimidate
- IUPAC
- ethyl butanimidate
- English name
- Butyrimidic acid ethyl ester
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
ethyl butyrimidate998-97-0ETHYL BUTANECARBOXIMIDATEethyl butanimidateethylbutyrimidateethyl butaneimidateethyl butyroimidateTelmisartan Impurity 44SCHEMBL3293944SCHEMBL27262801DTXSID10274578JEZVIUQRUWOXRY-UHFFFAOYSA-N
Show more names
elmisartan Impurity 27Telmisartan Impurity 55Butyrimidic acid ethyl esterButanimidic acid, ethyl ester
EN300-1722061
Database identifiers
- CAS
998-97-0- PubChem CID
- 16634
- DTXSID
DTXSID10274578- Nikkaji
- J2.144.866D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70
Physicochemical properties
- Melting point
- 75 · 75-77 °C
- Boiling point
- 126 °C · 126 °C
- Density
- 0.8082 g/cm3 · 0.8082 g/cm3
- pka
- 8.35 · 8.35±0.70(Predicted)
Chemistry & industry
Suppliers4 total
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Related reactions
10 records
Compound notes
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