Basic information
- CAS
13962-95-3- Standard SMILES
Oc1ccccc1C=Nc1cccc2ccccc12- InChIKey
SOJUPXWRMKYNLZ-UHFFFAOYSA-N- Molecular formula
- C17H13NO
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.09971404
Names & identifiers
- Preferred name
- 2-(Naphthalen-1-yliminomethyl)-phenol
- IUPAC
- 2-(naphthalen-1-yliminomethyl)phenol
Names & synonyms
2-(Naphthalen-1-yliminomethyl)-phenolMLS00120728713962-95-3SMR0005144272-(1-Naphthyliminomethyl)phenol2-[(1-Naphthylimino)methyl]phenolSalicylidennaphthylaminPhenol, 2-[(1-naphthalenylimino)methyl]-TimTec1_000932DDJS-52CHEMBL3211355SCHEMBL12809855
Show more names
BDBM96214cid_5393978DTXSID60425179HMS1536K08HMS2823J13(6E)-6-[(naphthalen-1-ylamino)methylidene]cyclohexa-2,4-dien-1-oneAKOS0005302582-((1E)-2-naphthyl-2-azavinyl)phenol
Database identifiers
- CAS
13962-95-3- PubChem CID
- 690983
- DTXSID
DTXSID60425179- ChEMBL
CHEMBL3211355- EC Number
- 167-260-6
- Nikkaji
- J2.177.048E、J830.248K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
Solubility9.4 [ug/mL] (The mean of the results at pH 7.4)
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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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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