Basic information
- CAS
1340072-26-5- Standard SMILES
CC(C)(CCl)C(=O)NC1(C#N)CCC1- InChIKey
RIJJZCCAHSVGQX-UHFFFAOYSA-N- Molecular formula
- C10H15ClN2O
- Average molar mass
- 214.69 g/mol
- Monoisotopic mass
- 214.0872908
Names & identifiers
- Preferred name
- 3-chloro-N-(1-cyanocyclobutyl)-2,2-dimethylpropanamide
- IUPAC
- 3-chloro-N-(1-cyanocyclobutyl)-2,2-dimethylpropanamide
- English name
- 3-chloro-N-(1-cyanocyclobutyl)-2,2-dimethylpropanamide
- Molecular formula
- C10H15ClN2O
- Molecular weight
- 214.69
Names & synonyms
3-chloro-N-(1-cyanocyclobutyl)-2,2-dimethylpropanamide1340072-26-5RefChem:500360989-692-1AKOS012990775EN300-173110Z1143433741Propanamide, 3-chloro-N-(1-cyanocyclobutyl)-2,2-dimethyl-
Database identifiers
- CAS
1340072-26-5- PubChem CID
- 63679972
- EC Number
- 989-692-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 413.2 · 413.2±38.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.38 · 12.38±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-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
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…