Basic information
- CAS
6330-25-2- Standard SMILES
CNC(=O)CC#N- InChIKey
LIHUTSFYFGCWQP-UHFFFAOYSA-N- Molecular formula
- C4H6N2O
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.04801281
Names & identifiers
- Preferred name
- 2-Cyano-N-methylacetamide
- IUPAC
- 2-cyano-N-methylacetamide
- English name
- 2-CYANO-N-METHYL-ACETAMIDE
- Molecular formula
- C4H6N2O
- Molecular weight
- 98.1
Names & synonyms
2-Cyano-N-methylacetamideAcetamide, 2-cyano-N-methyl-AI3-04871EINECS 228-705-0DTXSID10212692EC 228-705-0NSC 47005RefChem:470714DTXCID40135183228-705-02-Cyano-N-methyl-acetamide6330-25-2
Show more names
Entacapone Impurity 27Methyl 2-Cyano AcetamideN-Methyl-2-cyanoacetamide2-Cyan-N-methyl-acetamideN1-METHYL-2-CYANOACETAMIDEN-(Cyanoacetyl)methylamine4-bromo-N-propan-2-yl-1-pentanamine
N-methylcyanoacetamideN-methyl cyanoacetamideMFCD000901195AE9HP6RPUEntacapone Impurity 61NSC47005NSC-47005CHEMBL2333144
Database identifiers
- CAS
6330-25-2- PubChem CID
- 80622
- DTXSID
DTXSID10212692- ChEMBL
CHEMBL2333144- UNII
- 5AE9HP6RPU
- EC Number
- 228-705-0
- Nikkaji
- J206.931H
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 335.3 · 335.3±25.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- vapor pressure
- 0.009 Pa · 0.009Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 5.44 · 5.44±0.10(Predicted)
- color
- Pale Yellow
- LogP
- -1.96 · -1.96--0.445 at 25℃
- FDA UNII
- 5 AE9HP6RPU · 5AE9HP6RPU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
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 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 11-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21283
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)
Safety data
- wgk
- 3
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 22-26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Cyano-N-methylacetamide is used in the synthesis of pyridone compounds and benzimidazoles, for various pharmaceutical application.
Upstream & downstream products
Upstream raw materials
Suppliers79 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
12 records
Compound notes
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