3-(3-Methoxypropoxy)aniline
Basic information
- CAS
1023277-27-1- Standard SMILES
COCCCOc1cccc(N)c1- InChIKey
KZSOJALGYPNCKI-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 3-(3-Methoxypropoxy)aniline
- IUPAC
- 3-(3-methoxypropoxy)aniline
- English name
- 3-(3-Methoxypropoxy)benzenamine
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
3-(3-methoxypropoxy)aniline1023277-27-13-(3-Methoxypropoxy)benzenamineMFCD11652535SCHEMBL2062745DTXSID20655930KZSOJALGYPNCKI-UHFFFAOYSA-NYQB27727Benzenamine, 3-(3-methoxypropoxy)-AKOS009386758AS-47375SY138202
Show more names
CS-0307933EN300-101467F13498F718160
Database identifiers
- CAS
1023277-27-1- PubChem CID
- 43365876
- DTXSID
DTXSID20655930- EC Number
- 172-598-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 306.8 · 306.8±17.0 °C(Predicted)
- Density
- 1.056 · 1.056
- pka
- 4.17 · 4.17±0.10(Predicted)
- 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
4 records
Compound notes
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