2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)-
Basic information
- CAS
27866-08-6- Standard SMILES
CCC(C)N(CC(O)COCC12CC3CC(CC(C3)C1)C2)C(C)CC- InChIKey
HFDZAMYXLQSMOA-UHFFFAOYSA-N- Molecular formula
- C22H41NO2
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.31372955
Names & identifiers
- Preferred name
- 2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)-
- IUPAC
- 1-(1-adamantylmethoxy)-3-[di(butan-2-yl)amino]propan-2-ol
- English name
- 1-[Bis(1-methylpropyl)amino]-3-(tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-2-propanol
- Molecular formula
- C22H41NO2
- Molecular weight
- 351.57
Names & synonyms
BRN 21208341-(1-Adamantylmethoxy)-3-(di-2-butylamino)-2-propanol2-Propanol, 1-(1-adamantylmethoxy)-3-(di-2-butylamino)-27866-08-62-Propanol, 1-(bis(1-methylpropyl)amino)-3-(tricyclo(3.3.1.13,7)dec-1-ylmethoxy)-RefChem:265683DTXSID509505411-[(Adamantan-1-yl)methoxy]-3-[di(butan-2-yl)amino]propan-2-ol2-Propanol, 1-[bis(1-methylpropyl)amino]-3-(tricyclo[3.3.1.13,7]dec-1-ylmethoxy)-1-[Bis(1-methylpropyl)amino]-3-(tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-2-propanol
Database identifiers
- CAS
27866-08-6- PubChem CID
- 64257
- DTXSID
DTXSID50950541- Nikkaji
- J50.941H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 448.4 · 448.4±30.0 °C(Predicted)
- Density
- 1.007 · 1.007±0.06 g/cm3(Predicted)
- pka
- 13.99 · 13.99±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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