Basic information
- CAS
71888-57-8- Standard SMILES
N#CCCCCN1CCCC1- InChIKey
VZTHTEUIDBTOLX-UHFFFAOYSA-N- Molecular formula
- C9H16N2
- Average molar mass
- 152.24 g/mol
- Monoisotopic mass
- 152.13134852
Names & identifiers
- Preferred name
- Pyrrolidine-1-valeronitrile
- IUPAC
- 5-pyrrolidin-1-ylpentanenitrile
- English name
- pyrrolidine-1-valeronitrile
- Molecular formula
- C9H16N2
- Molecular weight
- 152.24
Names & synonyms
1-PyrrolidinepentanenitrilePyrrolidine-1-valeronitrile71888-57-8EINECS 276-146-6DTXSID20222146NSC 96979RefChem:871075DTXCID20144637276-146-61-Pyrrolidinevaleronitrile5-pyrrolidin-1-ylpentanenitrile5-(PYRROLIDIN-1-YL)PENTANENITRILE
Show more names
5-Pyrrolizinovaleronitrile5-(pyrrolidin-1-yl)-pentanenitrile
ZNX3HAT3CLMLS000736980NSC-96979NSC96979UNII-ZNX3HAT3CLSCHEMBL149979CHEMBL1525379VZTHTEUIDBTOLX-UHFFFAOYSA-N
Database identifiers
- CAS
71888-57-8- PubChem CID
- 97016
- DTXSID
DTXSID20222146- ChEMBL
CHEMBL1525379- UNII
- ZNX3HAT3CL
- EC Number
- 276-146-6
- Nikkaji
- J318.803E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- FDA UNII
- 3 HAT3CL · ZNX3HAT3CL
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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