Basic information
- CAS
946682-25-3- Standard SMILES
CC(C)CCOc1c(N)cccc1Cl- InChIKey
FQXBVZHLEGVZRR-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO
- Average molar mass
- 213.7 g/mol
- Monoisotopic mass
- 213.0920418
Names & identifiers
- Preferred name
- 3-Chloro-2-(isopentyloxy)aniline
- IUPAC
- 3-chloro-2-(3-methylbutoxy)aniline
- English name
- 3-CHLORO-2-(ISOPENTYLOXY)ANILINE
- Molecular formula
- C11H16ClNO
- Molecular weight
- 213.7
Names & synonyms
3-CHLORO-2-(ISOPENTYLOXY)ANILINE3-chloro-2-(3-methylbutoxy)aniline946682-25-3AKOS000214867Benzenamine, 3-chloro-2-(3-methylbutoxy)-
Database identifiers
- CAS
946682-25-3- PubChem CID
- 26189152
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- 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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