Basic information
- CAS
3739-10-4- Standard SMILES
CCN(CC)CCOC(=O)Nc1ccccc1.Cl- InChIKey
WGAGNDBDPRCBNH-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2O2
- Average molar mass
- 272.77 g/mol
- Monoisotopic mass
- 272.1291556
Names & identifiers
- Preferred name
- AI 3-17232
- IUPAC
- 2-(diethylamino)ethyl N-phenylcarbamate;hydrochloride
- English name
- Carbanilic acid, 2-(diethylamino)ethyl ester, monohydrochloride
- Molecular formula
- C13H21ClN2O2
- Molecular weight
- 272.77104
Names & synonyms
3739-10-4AI 3-17232RefChem:1076232S 11SCHEMBL9325586DTXSID10958482NSC79862-(DIETHYLAMINO)ETHYL N-PHENYLCARBAMATE HYDROCHLORIDENSC-79862-diethylaminoethyl N-phenylcarbamateAKOS0243389082-Diethylaminoethanol, carbanilate, monohydrochloride
Show more names
Carbanilic acid, 2-(diethylamino)ethyl ester, monohydrochloride
2-(Diethylamino)ethyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1)
Database identifiers
- CAS
3739-10-4- PubChem CID
- 458754
- DTXSID
DTXSID10958482
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 146.5 °C · 146.5 °C
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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