Basic information
- CAS
55000-14-1- Standard SMILES
C=C(C)COc1ccccc1N- InChIKey
KXWXNGOHHAPVBZ-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 2-[(2-Methylprop-2-en-1-yl)oxy]aniline
- IUPAC
- 2-(2-methylprop-2-enoxy)aniline
- English name
- 2-[(2-methylprop-2-en-1-yl)oxy]aniline
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
2-[(2-methylprop-2-en-1-yl)oxy]aniline55000-14-12-(2-methylprop-2-enoxy)aniline2-methallyloxyaniline2-[(2-Methyl-2-propenyl)oxy]aniline2-(2-methylallyloxy)anilineSCHEMBL4804188DTXSID70545130KXWXNGOHHAPVBZ-UHFFFAOYSA-NSTL066886AKOS005288026NCGC00326388-01
Show more names
UKRORGSYN-BB BBV-1834182-[(2-Methyl-2-propen-1-yl)oxy]benzenamineBenzenamine, 2-[(2-methyl-2-propen-1-yl)oxy]-2-[(2-methylprop-2-en-1-yl)oxy]aniline(SALTDATA: HCl)
DB-302605AB01321299-02EN300-7792763
Database identifiers
- CAS
55000-14-1- PubChem CID
- 13617333
- DTXSID
DTXSID70545130- EC Number
- 190-683-2
- Nikkaji
- J1.581.077G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 80 · 80-80.5 °C
- Boiling point
- 64 · 64-66 °C(Press: 0.005 Torr)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 4.33 · 4.33±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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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