Basic information
- CAS
5602-19-7- Standard SMILES
N#CCCCCCC(=O)O- InChIKey
INHNHRQXVDVIDZ-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- 6-Cyanohexanoic acid
- IUPAC
- 6-cyanohexanoic acid
- English name
- 6-cyanohexanoic acid
- Molecular formula
- C7H11NO2
- Molecular weight
- 0
Names & synonyms
6-Cyanohexanoic acid5602-19-76-Cyanocaproic acidHexanoic acid, 6-cyano-EINECS 227-023-0.epsilon.-Cyanocaproic acidDTXSID40971402epsilon-Cyanocaproic acidRefChem:104469DTXCID901398916227-023-0INHNHRQXVDVIDZ-UHFFFAOYSA-N
Show more names
ε-Cyanocaproic acid
6-CyanohexanoicacidSCHEMBL504189FAA60219AKOS006285170NS00044431EN300-212489
Database identifiers
- CAS
5602-19-7- PubChem CID
- 79713
- DTXSID
DTXSID40971402- EC Number
- 227-023-0
- Nikkaji
- J122.112D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
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%)
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
Loading…