Basic information
- CAS
13232-83-2- Standard SMILES
COc1cc(CC(C)(C#N)NC(C)=O)ccc1O- InChIKey
LWNXUHPNXYVCQA-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- (-)-N-(1-Cyano-1-vanillylethyl)acetamide
- IUPAC
- N-[2-cyano-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]acetamide
- English name
- (-)-N-(alpha-cyano-4-hydroxy-3-methoxy-alpha-methylphenethyl)acetamide
- Molecular formula
- C13H16N2O3
- Molecular weight
- 248.27774
Names & synonyms
(-)-N-(1-Cyano-1-vanillylethyl)acetamide14818-98-513232-83-214818-97-431915-71-6N-[1-CYANO-2-(4-HYDROXY-3-METHOXYPHENYL)-1-METHYLETHYL]ACETAMIDEN-(1-Cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl)acetamiden-[2-cyano-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]acetamideEINECS 236-204-3EINECS 238-891-5EINECS 238-892-0EINECS 250-865-5
Show more names
(-)-N-(α-cyano-4-hydroxy-3-methoxy-α-methylphenethyl)acetamide
(-)-N-(alpha-Cyano-4-hydroxy-3-methoxy-alpha-methylphenethyl)acetamideSCHEMBL9819507DTXSID10864539LWNXUHPNXYVCQA-UHFFFAOYSA-N(+)-N-(1-Cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl)acetamide(-)-N-[1-Cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]acetamideNS00051656
Database identifiers
- CAS
13232-83-2、14818-97-4、14818-98-5、31915-71-6- PubChem CID
- 85774
- DTXSID
DTXSID10864539- EC Number
- 236-204-3、238-891-5、238-892-0、250-865-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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