Basic information
- CAS
443124-54-7- Standard SMILES
COc1ccc(-c2nc3ccccc3[nH]2)cc1N- InChIKey
LOAAJBOHHXFWPZ-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- 5-(1H-1,3-benzodiazol-2-yl)-2-methoxyaniline
- IUPAC
- 5-(1H-benzimidazol-2-yl)-2-methoxyaniline
- English name
- Benzenamine, 5-(1H-benzimidazol-2-yl)-2-methoxy-
- Molecular formula
- C14H13N3O
- Molecular weight
- 239.27
Names & synonyms
5-(1H-1,3-benzodiazol-2-yl)-2-methoxyaniline443124-54-7RefChem:529060964-425-15-(1H-benzimidazol-2-yl)-2-methoxyaniline5-(1H-Benzo[d]imidazol-2-yl)-2-methoxyanilineOprea1_480498SCHEMBL2349584TSA12454SBB078621AKOS0002892745-benzimidazol-2-yl-2-methoxyphenylamine
Show more names
Benzenamine, 5-(1H-benzimidazol-2-yl)-2-methoxy-
DB-1388185-(1H-benzimidazol-2-yl)-2-methoxybenzenamineEN300-200832G42304Z1154375493
Database identifiers
- CAS
443124-54-7- PubChem CID
- 5116046
- EC Number
- 964-425-1
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 494.4 · 494.4±55.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 11.4 · 11.40±0.10(Predicted)
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%)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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