Basic information
- CAS
111422-10-7- Standard SMILES
CC(C)NCC(COc1cccc2ccccc12)OC(=O)C(C)(C)C- InChIKey
SLLKYDIVPRYTBW-UHFFFAOYSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-(((1-Methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl 2,2-dimethylpropanoate
- IUPAC
- [1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 2,2-dimethylpropanoate
- English name
- O-isovaleryl propranolol
- Molecular formula
- C21H29NO3
- Molecular weight
- 343.46
Names & synonyms
111422-10-7O-Isovaleryl propranololO-Isovaleryl-PL1-(((1-Methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl 2,2-dimethylpropanoateRefChem:167229[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 2,2-dimethylpropanoate1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-yl 2,2-dimethylpropanoate1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-yl pivalateDTXSID40912158AKOS024358215ST509871722-[(methylethyl)amino]-1-(naphthyloxymethyl)ethyl 2,2-dimethylpropanoate
Show more names
Propanoic acid, 2,2-diMethyl-, 1-[[(1-Methylethyl)aMino]Methyl]-2-(1-naphthalenyloxy)ethylester
1-[(Naphthalen-1-yl)oxy]-3-[(propan-2-yl)amino]propan-2-yl 2,2-dimethylpropanoatePropanoic acid, 2,2-dimethyl-, 1-(((1-methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl ester
Database identifiers
- CAS
111422-10-7- PubChem CID
- 86121
- DTXSID
DTXSID40912158- Nikkaji
- J546.535D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
LogP6.44
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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