2-Cyano-N-[(4-methoxyphenyl)methyl]acetamide
Basic information
- CAS
288154-72-3- Standard SMILES
COc1ccc(CNC(=O)CC#N)cc1- InChIKey
CZEXVFFBZBDCNV-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 2-Cyano-N-[(4-methoxyphenyl)methyl]acetamide
- IUPAC
- 2-cyano-N-[(4-methoxyphenyl)methyl]acetamide
- English name
- 2-Cyano-N-(4-methoxybenzyl)acetamide
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
288154-72-32-cyano-N-[(4-methoxyphenyl)methyl]acetamide2-Cyano-N-((4-methoxyphenyl)methyl)acetamideRefChem:470672964-095-92-cyano-N-(4-methoxybenzyl)acetamideMFCD01418247Oprea1_492157SCHEMBL6317352DTXSID50351094STK414898AKOS000202512
Show more names
2-cyano-N-[(4-methoxyphenyl)methyl]ethanamideAcetamide, 2-cyano-N-[(4-methoxyphenyl)methyl]-
FA-0611CS-0241967EU-0029371EN300-24236F78602SR-01000575472ALBB-008575ST009343
Database identifiers
- CAS
288154-72-3- PubChem CID
- 690675
- DTXSID
DTXSID50351094- EC Number
- 964-095-9
- Nikkaji
- J2.949.740K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 459.7 · 459.7±35.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 5.41 · 5.41±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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