Basic information
- CAS
17686-39-4- Standard SMILES
CCCCCOC(=O)CC#N- InChIKey
OCJMNSVWIYIHRK-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- Pentyl cyanoacetate
- IUPAC
- pentyl 2-cyanoacetate
- English name
- Pentyl cyanoacetate
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
Pentyl cyanoacetate17686-39-4DTXSID90938863EINECS 241-669-0RefChem:860082DTXCID301367379241-669-0pentyl 2-cyanoacetatecyanoacetic acid pentyl esterSCHEMBL2855420OCJMNSVWIYIHRK-UHFFFAOYSA-NAKOS022283294
Show more names
Cyanoacetic acid amyl esterAcetic acid, 2-cyano-, pentyl ester
NS00054835
Database identifiers
- CAS
17686-39-4- PubChem CID
- 87236
- DTXSID
DTXSID90938863- EC Number
- 241-669-0
- Nikkaji
- J191.500B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Pentyl cyanoacetate (EC: 241-669-0)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers4 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
重庆卡兰医药有限公司[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
Loading…