Basic information
- CAS
946773-54-2- Standard SMILES
CCCC(C)COc1ccc(C)cc1N- InChIKey
ZIJXNXVRQIXBOG-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- 5-Methyl-2-[(2-methylpentyl)oxy]aniline
- IUPAC
- 5-methyl-2-(2-methylpentoxy)aniline
- English name
- 5-METHYL-2-[(2-METHYLPENTYL)OXY]ANILINE
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
5-METHYL-2-[(2-METHYLPENTYL)OXY]ANILINE946773-54-25-methyl-2-(2-methylpentoxy)aniline5-Methyl-2-((2-methylpentyl)oxy)anilineAKOS005264382Benzenamine, 5-methyl-2-[(2-methylpentyl)oxy]-
Database identifiers
- CAS
946773-54-2- PubChem CID
- 45075242
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 313.1 · 313.1±22.0 °C(Predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- pka
- 4.94 · 4.94±0.10(Predicted)
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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