Basic information
- CAS
1040687-09-9- Standard SMILES
CCC(C)(C)c1ccc(OCCNc2cc(C)cc(C)c2)cc1- InChIKey
RHIDKYNDROHDMM-UHFFFAOYSA-N- Molecular formula
- C21H29NO
- Average molar mass
- 311.5 g/mol
Names & identifiers
- Preferred name
- 3,5-Dimethyl-N-{2-[4-(tert-pentyl)phenoxy]-ethyl}aniline
- IUPAC
- 3,5-dimethyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
- English name
- 3,5-Dimethyl-N-{2-[4-(tert-pentyl)phenoxy]-ethyl}aniline
- Molecular formula
- C21H29NO
- Molecular weight
- 311.46
Names & synonyms
3,5-DIMETHYL-N-{2-[4-(TERT-PENTYL)PHENOXY]-ETHYL}ANILINE1040687-09-93,5-dimethyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]anilineAKOS005294002Benzenamine, N-[2-[4-(1,1-dimethylpropyl)phenoxy]ethyl]-3,5-dimethyl-
Database identifiers
- CAS
1040687-09-9
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
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
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…