Basic information
- CAS
52187-21-0- Standard SMILES
CC(C)(C)NCC(O)COc1cccc2c1CC1OC(C)(C)OC1C2- InChIKey
FCJKHKZRHROKDA-UHFFFAOYSA-N- Molecular formula
- C20H31NO4
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.22530847
Names & identifiers
- Preferred name
- 1-(tert-Butylamino)-3-((3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-yl)oxy)propan-2-ol
- IUPAC
- 1-(tert-butylamino)-3-[(2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-yl)oxy]propan-2-ol
- English name
- 1-(tert-butylamino)-3-[(3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-yl)oxy]propan-2-ol
- Molecular formula
- C20H31NO4
- Molecular weight
- 349.46
Names & synonyms
52187-21-01-(tert-Butylamino)-3-((3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-yl)oxy)propan-2-ol1-(tert-butylamino)-3-[(3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-yl)oxy]propan-2-olEINECS 257-723-1DTXSID90966565FCJKHKZRHROKDA-UHFFFAOYSA-NDB-258949NS000597781-(tert-Butylamino)-3-[(2,2-dimethyl-3a,4,9,9a-tetrahydro-2H-naphtho[2,3-d][1,3]dioxol-5-yl)oxy]propan-2-olNadolol Acetonide Impurity2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-yl)oxy]-1-[(1,1-Dimethylethyl)amino]-3-[[(3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol)-5-yl]oxy]-2-propanol
Database identifiers
- CAS
52187-21-0- PubChem CID
- 103604
- DTXSID
DTXSID90966565- EC Number
- 257-723-1
- Nikkaji
- J279.474H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Chemistry & industry
Suppliers1 total
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Related reactions
0 records
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Compound notes
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