Basic information
- CAS
1033400-09-7- Standard SMILES
COc1ccccc1CN1CCCCC1C(=O)O- InChIKey
QGAXUFYVQFXXON-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- 1-(2-Methoxy-benzyl)-piperidine-2-carboxylic acid
- IUPAC
- 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
- English name
- 1-(2-Methoxy-benzyl)-piperidine-2-carboxylic acid
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
1033400-09-71-(2-Methoxy-benzyl)-piperidine-2-carboxylic acidDTXSID90398024RefChem:223618DTXCID503488831-(2-Methoxybenzyl)piperidine-2-carboxylic acid1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acidMFCD051745141-(2-Methoxybenzyl)-2-carboxypiperidineMLS000716864CHEMBL1330136HMS2646G18
Show more names
TIMTEC-BB SBB0119231-[(2-METHOXYPHENYL)METHYL]-2-PIPERIDINECARBOXYLIC ACID2-Piperidinecarboxylic acid, 1-[(2-methoxyphenyl)methyl]-
SBB011923AKOS000302779AKOS022462586SB43653SMR000278381CS-04400461-(2-Methoxybenzyl)piperidine-2-carboxylicacidF79263
Database identifiers
- CAS
1033400-09-7- PubChem CID
- 3929628
- DTXSID
DTXSID90398024- ChEMBL
CHEMBL1330136
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
Solubility35.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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