Basic information
- CAS
1341769-38-7- Standard SMILES
NC1CCCN(c2ccccc2Cl)C1=O- InChIKey
XVBRVRUTRBSVGR-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O
- Average molar mass
- 224.68 g/mol
- Monoisotopic mass
- 224.0716407
Names & identifiers
- Preferred name
- 3-Amino-1-(2-chlorophenyl)piperidin-2-one
- IUPAC
- 3-amino-1-(2-chlorophenyl)piperidin-2-one
Names & synonyms
3-amino-1-(2-chlorophenyl)piperidin-2-one1341769-38-7RefChem:496727869-236-7CHEMBL4592089RDC76938AKOS013558462EN300-85100Z1209416691
Database identifiers
- CAS
1341769-38-7- PubChem CID
- 54595086
- ChEMBL
CHEMBL4592089- EC Number
- 869-236-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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