Basic information
- Standard SMILES
c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1- InChIKey
FSXGJIFBTBJMHV-UHFFFAOYSA-N- Molecular formula
- C18H22N2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.1782987
Names & identifiers
- Preferred name
- N-Phenyl-1-(phenylmethyl)-4-piperidinamine
- IUPAC
- 1-benzyl-N-phenylpiperidin-4-amine
- English name
- 4-Anilino-1-benzylpiperidine
- Molecular formula
- C18H22N2
- Molecular weight
- 266.38
Names & synonyms
1-Benzyl-N-phenylpiperidin-4-amine1155-56-24-ANILINO-1-BENZYLPIPERIDINEN-Phenyl-1-(phenylmethyl)-4-piperidinamine1-Benzyl-4-anilinopiperidine1-Benzyl-4-(phenylamino)piperidine7FTW970M7KEINECS 214-583-6NSC 76613NSC-76613DTXSID801511254-PIPERIDINAMINE, N-PHENYL-1-(PHENYLMETHYL)-
Show more names
AKOS BBS-00006340Fentanyl Impurity 16Stavudine Impurity 12Fentanyl EP Impurity J4-ANILINO-1-BENZYLPIPERADINEFentanyl Citrate EP Impurity GFentanyl USP Related Compound D
FENTANYL CITRATE IMPURITY G [EP IMPURITY]FENTANYL CITRATE IMPURITY G (EP IMPURITY)RefChem:830918DTXCID50736164-anilino-N-benzylpiperidine1-benzyl-N-phenyl-4-piperidinamineUNII-7FTW970M7K1-Benzyl-4-(phenylamino)piperidine; 1-Benzyl-4-anilinopiperidine; N-Phenyl-1-(phenylmethyl)-4-piperidinamine; NSC 76613; USP Fentanyl Related Compound D;
Database identifiers
- CAS
1155-56-2- PubChem CID
- 70865
- DTXSID
DTXSID80151125- ChEMBL
CHEMBL1715153- UNII
- 7FTW970M7K
- EC Number
- 214-583-6
- Nikkaji
- J203.413A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Melting point
- 848 · 848-886 °C
- Boiling point
- 404.6 · 404.6±38.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0Pa at 20-25℃
- storage temp.
- Refrigerator
- solubility
- Soluble in dichloromethane.
- pka
- 8.18 · 8.18±0.10(Predicted)
- form
- Solid
- color
- Off-White
- LogP
- 4 · 4-4.2 at pH7-11
- CAS DataBase Reference
- 1155 · 1155-56-2(CAS DataBase Reference)
- FDA UNII
- 7 FTW970M7K · 7FTW970M7K
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H413
- Precautionary statements
- 273 · P273-P301+P312+P330-P302+P352-P305+P351+P338
- HS Code
- 2933399090 · 2933399090
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23031
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335-H413
- REACH Registrations
- Active
- Precautionary statements
- P273-P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Anilino-1-benzylpiperidine, is used as a pharmaceutical intermediate.
UsesIntermediate in the preparation of Fentanyl derivatives.
Related reactions
12 records
Linked notes
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