Basic information
- CAS
95888-03-2- Standard SMILES
Nc1ccc2oc(-c3cccc4ccccc34)nc2c1- InChIKey
NCQQMVULPNMPEH-UHFFFAOYSA-N- Molecular formula
- C17H12N2O
- Average molar mass
- 260.29 g/mol
Names & identifiers
- Preferred name
- 2-(1-Naphthyl)-1,3-benzoxazol-5-amine
- IUPAC
- 2-naphthalen-1-yl-1,3-benzoxazol-5-amine
- English name
- 2-(naphthalen-1-yl)-1,3-benzoxazol-5-amine
- Molecular formula
- C17H12N2O
- Molecular weight
- 260.29
Names & synonyms
95888-03-22-(1-naphthyl)-1,3-benzoxazol-5-amineRefChem:451191657-452-22-(naphthalen-1-yl)benzo[d]oxazol-5-amine2-(naphthalen-1-yl)-1,3-benzoxazol-5-amine2-naphthylbenzoxazole-5-ylamine2-Naphthalen-1-yl-benzooxazol-5-ylamineSMR0000126292-naphthalen-1-yl-1,3-benzoxazol-5-amineMLS000035696SCHEMBL2245065
Show more names
5-Benzoxazolamine, 2-(1-naphthalenyl)-
CHEMBL1479509NCQQMVULPNMPEH-UHFFFAOYSA-NHMS2170N23HMS3307K10STK033536AKOS000108375CCG-112794WAY-297853
Database identifiers
- CAS
95888-03-2- PubChem CID
- 650480
- ChEMBL
CHEMBL1479509- EC Number
- 657-452-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 464 · 464.0±18.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 6.95 · 6.95±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
UKRORGSYN-BB[email protected]
Related reactions
1 records
Compound notes
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