Basic information
- CAS
78348-46-6- Standard SMILES
O=C(O)C1CCCCN1C(=O)c1ccccc1- InChIKey
KSWNBXOCSNHTLX-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 1-Benzoylpiperidine-2-carboxylic acid
- IUPAC
- 1-benzoylpiperidine-2-carboxylic acid
- English name
- 1-Benzoyl-piperidine-2-carboxylic acid
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
1-benzoylpiperidine-2-carboxylic acid78348-46-6DTXSID30326841RefChem:227864DTXCID20277954818-564-91-BENZOYL-2-PIPERIDINECARBOXYLIC ACID2-Piperidinecarboxylicacid, 1-benzoyl-MFCD022110132-Piperidinecarboxylic acid, 1-benzoyl-NSC618241carboxybenzoylpiperidine
Show more names
N-Bz-RS-2-Piperidinecarboxylic acid1-phenylcarbonylpiperidine-2-carboxylic acid1-(oxo-phenylmethyl)-2-piperidinecarboxylic acid1-benzoyl-2-piperidinecarboxylic acid(SALTDATA: FREE)
CBMicro_0483541-BENZOYL-PIPERIDINE-2-CARBOXYLIC ACIDCambridge id 58646661-(benzoyl)pipecolinic acidOprea1_603026SCHEMBL3575904CHEMBL1982118CHEMBRDG-BB 5864666
Database identifiers
- CAS
78348-46-6- PubChem CID
- 358299
- DTXSID
DTXSID30326841- ChEMBL
CHEMBL1982118- EC Number
- 818-564-9
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H15NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h1-3,6-7,11H,4-5,8-9H2,(H,16,17)
- InChIKey
- KSWNBXOCSNHTLX-UHFFFAOYSA-N
- SMILES
- O=C(C1=CC=CC=C1)N2C(C(O)=O)CCCC2
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers14 total
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
北京珐默兹医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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