3-[(2-Phenylethoxy)methyl]aniline
Basic information
- CAS
1039862-68-4- Standard SMILES
Nc1cccc(COCCc2ccccc2)c1- InChIKey
ZEYCXHQIDKKZBW-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- 3-[(2-Phenylethoxy)methyl]aniline
- IUPAC
- 3-(2-phenylethoxymethyl)aniline
- English name
- 3-[(2-phenylethoxy)methyl]aniline
- Molecular formula
- C15H17NO
- Molecular weight
- 227.3
Names & synonyms
3-[(2-phenylethoxy)methyl]aniline1039862-68-43-(2-phenylethoxymethyl)anilinePRB86268AKOS033203558EN300-56088G33172Z362798012Benzenamine, 3-[(2-phenylethoxy)methyl]-
Database identifiers
- CAS
1039862-68-4- PubChem CID
- 28995697
- EC Number
- 160-683-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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