2-Amino-3,3-dimethylcyclopent-1-ene-1-carbonitrile
Basic information
- CAS
3597-66-8- Standard SMILES
CC1(C)CCC(C#N)=C1N- InChIKey
KHIAKCIMIJQSIO-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- 2-Amino-3,3-dimethylcyclopent-1-ene-1-carbonitrile
- IUPAC
- 2-amino-3,3-dimethylcyclopentene-1-carbonitrile
Names & synonyms
2-amino-3,3-dimethylcyclopent-1-ene-1-carbonitrile3597-66-82-amino-3,3-dimethylcyclopentene-1-carbonitrileNSC146797SCHEMBL6651399DTXSID80301865DAA59766AKOS006362296NSC-146797CS-0230763EN300-105541
Database identifiers
- CAS
3597-66-8- PubChem CID
- 287237
- DTXSID
DTXSID80301865- EC Number
- 172-388-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 227
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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