Basic information
- CAS
4971-77-1- Standard SMILES
CCOC(=N)Cc1ccccc1- InChIKey
WOSCONIPQYKXMP-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- Ethyl 2-phenylethanimidoate
- IUPAC
- ethyl 2-phenylethanimidate
- English name
- 2-Phenyl-acetimidic acid ethyl ester
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
4971-77-1ethyl 2-phenylethanimidoateDTXSID10328227RefChem:342970DTXCID60279336ethyl 2-phenylethanimidateethyl 2-phenylacetimidate2-PHENYL-ACETIMIDIC ACID ETHYL ESTERBenzeneethanimidicacid, ethyl esterMFCD058632551-ethoxy-2-phenylethanimineSCHEMBL506200
Show more names
SPECS AN-584/42206204Benzeneethanimidic acid, ethyl ester
WOSCONIPQYKXMP-UHFFFAOYSA-NALBB-033245SBB087709AKOS010211700AN-584/42206204
Database identifiers
- CAS
4971-77-1- PubChem CID
- 408218
- DTXSID
DTXSID10328227- Nikkaji
- J1.719.903J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 5 °C · 5 °C
- Boiling point
- 96 · 96-98.5 °C(Press: 2 Torr)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 8.12 · 8.12±0.70(Predicted)
Chemistry & industry
Suppliers5 total
ASTATECH[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SPECS[email protected]
BETAPHARMA[email protected]
Related reactions
12 records
Compound notes
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