Basic information
- CAS
85098-64-2- Standard SMILES
O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1- InChIKey
YFSCBWDAVTYIMM-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16812795
Names & identifiers
- Preferred name
- 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
- IUPAC
- 4-anilino-1-benzylpiperidine-4-carboxylic acid
- English name
- 4-Anilino-1-benzyl-4-piperidinecarboxylic acid
- Molecular formula
- C19H22N2O2
- Molecular weight
- 310.39
Names & synonyms
1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid4-anilino-1-benzylpiperidine-4-carboxylic acidNSC 73748NSC-73748B4386XQ54SEINECS 285-415-7DTXSID60234187RefChem:429927DTXCID60156678285-415-785098-64-24-Anilino-1-benzyl-4-piperidinecarboxylic acid
Show more names
1-Benzyl-4-(phenylamino)4-Anilino-1-Benzyl-4-Piperidinecarboxylic1-Benzyl-4-anilinopiperidine-4-carboxylic acid4-(Phenylamino)-1-phenylmethyl-4-piperidinecarboxylic acid
MFCD00023753NSC737484-(Phenylamino]-1-benzyl-4-piperidinecarboxylic Acid4-anilino-1-benzyl-piperidine-4-carboxylic acid1-Benzyl-4-(phenylamino)piperidine-4-carboxylicacid1-Benzyl-4-phenylamino-4-carboxy-piperidineUNII-B4386XQ54S4-Piperidinecarboxylic acid, 4-(phenylamino)-1-(phenylmethyl)-
Database identifiers
- CAS
85098-64-2- PubChem CID
- 43544
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 197 · 197-203°C
- Boiling point
- 495.6 · 495.6±45.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- pka
- 1.57 · 1.57±0.20(Predicted)
- form
- Solid
- color
- Light Brown
- CAS DataBase Reference
- 85098 · 85098-64-2
- FDA UNII
- 4386 XQ54S · B4386XQ54S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, 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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA piperidine derivative as potential analgesic agent.
Upstream & downstream products
Upstream raw materials
Suppliers41 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
Related reactions
2 records
Compound notes
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