Basic information
- CAS
10315-07-8- Standard SMILES
O=C([O-])C1CC[NH+](Cc2ccccc2)CC1- InChIKey
ZMVSVQMWFTZSJQ-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Overview
See also: 1-Benzylpiperidine-4-carboxylic acid (preferred).
Names & identifiers
- Preferred name
- 1-Benzylpiperidin-1-ium-4-carboxylate
- IUPAC
- 1-benzylpiperidin-1-ium-4-carboxylate
- English name
- 1-Benzylpiperidine-4-carboxylic acid
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
BUTTPARK 33\04-90Bzl-isonipecotic acid1-BENZYL-ISONIPECOTIC ACIDN-BENZYL-ISONIPECOTIC ACID1-benzylpiperidin-4-carboxylic acidN-Benzylpiperidine-4-carboxylic acidN-Benzyl-4-Piperidinecarboxylic acid1-Benzylpiperidine-4-carboxylic acid1-BENZYL-4-PIPERIDINE CARBOXYLIC ACID1-N-Benzyl-pipeidine-4-carboxylic acid
Database identifiers
- CAS
10315-07-8- PubChem CID
- 7015644
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 169 · 169.0-170.5 °C
- Boiling point
- 358.6 · 358.6±35.0 °C(Predicted)
- Density
- 1.165 · 1.165
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 4.02 · 4.02±0.20(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 10315 · 10315-07-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers95 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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