3-(Allyloxy)aniline hydrochloride
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Basic information
- CAS
102879-28-7- Standard SMILES
C=CCOc1cccc(N)c1.Cl- InChIKey
VXFFQUVZYWQDBJ-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.0607417
Names & identifiers
- Preferred name
- 3-(Allyloxy)aniline hydrochloride
- IUPAC
- 3-prop-2-enoxyaniline;hydrochloride
- English name
- 3-(ALLYLOXY)ANILINE HYDROCHLORIDE
- Molecular formula
- C9H12ClNO
- Molecular weight
- 185.65
Names & synonyms
3-(ALLYLOXY)ANILINE HYDROCHLORIDE102879-28-73-prop-2-enoxyaniline;hydrochloride3-allyloxyaniline[3-(allyloxy)phenyl]amine hydrochloride3-allyloxyaniline;hydrochloride3-Allyloxyaniline hydrochlorideSCHEMBL4729728DTXSID60332617VXFFQUVZYWQDBJ-UHFFFAOYSA-Nm-(allyloxy)aniline, hydrochlorideMFCD08445690
Show more names
3-prop-2-enyloxyphenylamine, chlorideAKOS0051113523-(ALLYLOXY)ANILINEHYDROCHLORIDEST450529013-[(Prop-2-en-1-yl)oxy]aniline--hydrogen chloride (1/1)
Database identifiers
- CAS
102879-28-7- PubChem CID
- 459250
- DTXSID
DTXSID60332617
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 156 · 156-157 °C(Solv: acetone (67-64-1))
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- 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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