Basic information
- CAS
1031-36-3- Standard SMILES
CC(C)NC1(C(N)=O)CCN(Cc2ccccc2)CC1- InChIKey
MSWWMXGLWBQMNG-UHFFFAOYSA-N- Molecular formula
- C16H25N3O
- Average molar mass
- 275.39 g/mol
- Monoisotopic mass
- 275.19976243
Names & identifiers
- Preferred name
- 1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
- IUPAC
- 1-benzyl-4-(propan-2-ylamino)piperidine-4-carboxamide
- English name
- 1-benzyl-4-(isopropylamino)piperidine-4-carboxamide
- Molecular formula
- C16H25N3O
- Molecular weight
- 275.39
Names & synonyms
1031-36-31-Benzyl-4-(isopropylamino)piperidine-4-carboxamideEINECS 213-846-2DTXSID10145638NSC 73389RefChem:429920DTXCID8068129213-846-21-benzyl-4-(propan-2-ylamino)piperidine-4-carboxamideNSC73389MLS0026938701-benzyl-4-isopropylamino-4-piperidinecarboxamide
Show more names
4-[(1-Methylethyl)amino]-1-phenylmethyl-4-piperidinecarboxamide4-Piperidinecarboxamide, 4-[(1-methylethyl)amino]-1-(phenylmethyl)-
NSC-73389NCIStruc1_000552NCIStruc2_000397SCHEMBL3934933CHEMBL13252821-benzyl-4-[(propan-2-yl)amino]piperidine-4-carboxamideHMS3085F11NCI73389
Database identifiers
- CAS
1031-36-3- PubChem CID
- 70573
- DTXSID
DTXSID10145638- ChEMBL
CHEMBL1325282- EC Number
- 213-846-2
- Nikkaji
- J217.155D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 117.8 · 117.8-120.4 °C
- Boiling point
- 438.7 · 438.7±45.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 15.91 · 15.91±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H335-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
2 records
Compound notes
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