Basic information
- CAS
1096-03-3- Standard SMILES
NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1- InChIKey
PUFOFCNHIWPPNN-UHFFFAOYSA-N- Molecular formula
- C19H23N3O
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.18411236
Names & identifiers
- Preferred name
- 4-(Phenylamino)-1-(phenylmethyl)-4-piperidinecarboxamide
- IUPAC
- 4-anilino-1-benzylpiperidine-4-carboxamide
- English name
- 4-anilino-1-benzylpiperidine-4-carboxamide
- Molecular formula
- C19H23N3O
- Molecular weight
- 309.41
Names & synonyms
1096-03-34-Anilino-1-benzylpiperidine-4-carboxamideYO1IP87NTPNSC-73749DTXSID701489884-(Phenylamino)-1-(phenylmethyl)-4-piperidinecarboxamideRefChem:1070170DTXCID4071479214-141-21-benzyl-4-(phenylamino)piperidine-4-carboxamide4-(phenylamino)-1-benzyl-4-piperidinecarboxamide4-anilino-1-benzyl-4-piperidinecarboxamide
Show more names
NSC 73749Remifentanil Impurity 7Remifentanil Impurity IRemifentanil hydrochloride EP impurity I1-(benzyl)-4-(phenylamino)isonipecotamideN-Benzyl-4-anilino-4-piperidine carboxamide
MFCD00474726NSC73749EINECS 214-141-2Remifentanil Impurity 2UNII-YO1IP87NTPChemDiv3_014186NCIOpen2_008848Oprea1_701669
Database identifiers
- CAS
1096-03-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 186.8 · 186.8-188.2 °C
- Boiling point
- 522.9 · 522.9±50.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.37 · 15.37±0.20(Predicted)
- color
- White to Yellow
- CAS DataBase Reference
- 1096 · 1096-03-3
- FDA UNII
- 1 IP87NTP · YO1IP87NTP
- HazardClass
- IRRITANT
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, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, 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
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses4-anilino-1-benzylpiperidine-4-carboxamide is used as modulators of muscarinic receptors for treatment of CNS disorders
Suppliers18 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
Related reactions
1 records
Compound notes
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