Basic information
- CAS
60465-14-7- Standard SMILES
O=C(Nc1ccc(Br)cc1)N1CCCCC1- InChIKey
LNBWMZSSEJQSNM-UHFFFAOYSA-N- Molecular formula
- C12H15BrN2O
- Average molar mass
- 283.16 g/mol
- Monoisotopic mass
- 282.03678
Names & identifiers
- Preferred name
- 1-((4-Bromophenyl)carbamoyl)piperidine
- IUPAC
- N-(4-bromophenyl)piperidine-1-carboxamide
- English name
- 1-((4-Bromophenyl)carbamoyl)piperidine
- Molecular formula
- C12H15BrN2O
- Molecular weight
- 283.16
Names & synonyms
60465-14-71-((4-BROMOPHENYL)CARBAMOYL)PIPERIDINERefChem:418606667-018-4N-(4-bromophenyl)piperidine-1-carboxamideF1757-0456MLS000685101CHEMBL1450259SCHEMBL14413756HMS2731P10SMSSF-0042801N-(4-bromophenyl)piperidylcarboxamide
Show more names
1-Piperidinecarboxamide, N-(4-bromophenyl)-
AKOS002242899N-p-bromophenyl-1-piperidinecarboxamideSMR000291785N-(4-bromophenyl)-1-piperidinecarboxamideST50486179VU0040040-3SR-01000241973SR-01000241973-1
Database identifiers
- CAS
60465-14-7- PubChem CID
- 694497
- ChEMBL
CHEMBL1450259- EC Number
- 667-018-4
- Nikkaji
- J3.627.811K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 191 · 191-192 °C
- Boiling point
- 440.1 · 440.1±37.0 °C(Predicted)
- Density
- 1.472 · 1.472±0.06 g/cm3(Predicted)
- pka
- 13.27 · 13.27±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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]
P264, P270, P301+P317, P330, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…