Benzoic acid, 2-hydroxy-, compd. with 3-pyridinemethanamine (1:1)
Basic information
- CAS
34148-38-4- Standard SMILES
NCc1cccnc1.O=C(O)c1ccccc1O- InChIKey
FRLFYILRHPWIEA-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Overview
structure given in first source
Names & identifiers
- Preferred name
- Benzoic acid, 2-hydroxy-, compd. with 3-pyridinemethanamine (1:1)
- IUPAC
- 2-hydroxybenzoic acid;pyridin-3-ylmethanamine
- English name
- salicylic acid, compound with pyridine-3-methylamine (1:1)
- Molecular formula
- C7H6O3.C6H8N2
- Molecular weight
- 0
Names & synonyms
3-(Aminomethyl)pyridyl salicylate34148-38-4N786D5D4U1DTXSID80187747RefChem:916927DTXCID401102381-(3-pyridinyl)-methanamine 2-hydroxybenzoate3-(aminomethyl)-pyridyl salicylate3-pyridylmethylamine salicylate2-hydroxybenzoic acid;pyridin-3-ylmethanamineSalicylic acid, compound with pyridine-3-methylamine (1:1)EINECS 251-852-7
Show more names
UNII-N786D5D4U1PICOLAMINE SALICYLATESCHEMBL1605781AKOS024325542PICOLAMINE SALICYLATE [WHO-DD]3-(AMINO-METHYL)-PYRIDINE SALICYLATE3-PYRIDINEMETHANAMINE, MONO(2-HYDROXYBENZOATE)Q27284663
Database identifiers
- CAS
34148-38-4- PubChem CID
- 161802
- DTXSID
DTXSID80187747- UNII
- N786D5D4U1
- EC Number
- 251-852-7
Properties
Computed structural properties
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- FDA UNII
- 786 D5D4U1 · N786D5D4U1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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