Basic information
- CAS
63631-09-4- Standard SMILES
COc1ccccc1NC(=O)CC#N- InChIKey
DGWPHCCSFWYGHO-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 2-cyano-N-(2-methoxyphenyl)acetamide
- IUPAC
- 2-cyano-N-(2-methoxyphenyl)acetamide
- English name
- 2-Cyano-N-(2-methoxy-phenyl)-acetamide
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
2-cyano-N-(2-methoxyphenyl)acetamide63631-09-4DTXSID50351195RefChem:259649DTXCID903022622-Cyano-N-(2-methoxy-phenyl)-acetamideMFCD013374922-Cyano-N-(2-methoxyphenyl)-acetamideAcetamide, 2-cyano-N-(2-methoxyphenyl)-o-methoxycyanoacetanilideOprea1_765501SCHEMBL2526841
Show more names
2-cyano-N-(2-methoxyphenyl)ethanamide
CHEMBL4593267ALBB-028162SBB042444STK803660AKOS000115202BS-4044SY132249CS-0218566
Database identifiers
- CAS
63631-09-4- PubChem CID
- 693173
- DTXSID
DTXSID50351195- ChEMBL
CHEMBL4593267- EC Number
- 998-616-6
- Nikkaji
- J2.582.765A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 163 · 163-165 °C
- Boiling point
- 392 · 392.0±22.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- -0.97 · -0.97±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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