2-(2-Hydroxy-1-naphthylmethyleneamino)benzoic acid
Basic information
- CAS
796-47-4- Standard SMILES
O=C(O)c1ccccc1N=Cc1c(O)ccc2ccccc12- InChIKey
QDRLBGYTPRZOPP-UHFFFAOYSA-N- Molecular formula
- C18H13NO3
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.08954328
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-1-naphthylmethyleneamino)benzoic acid
- IUPAC
- 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoic acid
Names & synonyms
2-(2-hydroxy-1-naphthylmethyleneamino)benzoic acidRefChem:453931667-319-0796-47-42-(((2-Hydroxynaphthalen-1-yl)methylene)amino)benzoic acid2-[(E)-[(2-HYDROXYNAPHTHALEN-1-YL)METHYLIDENE]AMINO]BENZOIC ACIDCHEMBL200725SCHEMBL1514423SCHEMBL1514426SCHEMBL13318820SCHEMBL29946537DTXSID60425194
Show more names
benzoic acid,2-[[(2-hydroxy-1-naphthalenyl)methylene]amino]-Benzoic acid, 2-[[(2-hydroxy-1-naphthalenyl)methylene]amino]-AKOS003616182ST010287SR-01000079019SR-01000079019-12-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl]benzoic acid2-{[(2-Oxonaphthalen-1(2H)-ylidene)methyl]amino}benzoic acid
Database identifiers
- CAS
796-47-4- PubChem CID
- 710083
- DTXSID
DTXSID60425194- ChEMBL
CHEMBL200725- EC Number
- 667-319-0
- Nikkaji
- J2.163.101I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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