3-Amino-4-(piperidin-1-yl)benzoic acid
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Basic information
- CAS
26586-27-6- Standard SMILES
Nc1cc(C(=O)O)ccc1N1CCCCC1- InChIKey
DFGNBCGBUAHIPC-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- 3-Amino-4-(piperidin-1-yl)benzoic acid
- IUPAC
- 3-amino-4-piperidin-1-ylbenzoic acid
- English name
- 3-AMINO-4-PIPERIDIN-1-YL-BENZOIC ACID
- Molecular formula
- C12H16N2O2
- Molecular weight
- 220.27
Names & synonyms
3-amino-4-(piperidin-1-yl)benzoic acidRefChem:497227869-709-826586-27-63-Amino-4-piperidin-1-yl-benzoic acid3-amino-4-piperidin-1-ylbenzoic acidMFCD02225752Benzoic acid, 3-amino-4-(1-piperidinyl)-3-amino-4-(1-piperidinyl)benzoic acid3-amino-4-piperidylbenzoic acid3-amino-4-(piperidin-1-yl)benzoicacidOprea1_314737
Show more names
AKOS BC-2599CHEMBRDG-BB 4003559OTAVA-BB BB70187800293-Amino-3-piperidin-1-yl-benzoic acid
Oprea1_389764MLS000067499CHEMBL1421043SCHEMBL29805515DTXSID70355610HMS2185F15BBA58627BBL029633
Database identifiers
- CAS
26586-27-6- PubChem CID
- 808767
- DTXSID
DTXSID70355610- ChEMBL
CHEMBL1421043- EC Number
- 869-709-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- 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.
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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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