Basic information
- CAS
83263-76-7- Standard SMILES
CCOC(=O)Nc1ccc(OCC(O)C[NH2+]C(C)(C)C)cc1.[Cl-]- InChIKey
PGEAYWURUHUPHX-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O4
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.165935
Names & identifiers
- Preferred name
- Carbamic acid, (4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, ethyl ester, monohydrochloride
- IUPAC
- tert-butyl-[3-[4-(ethoxycarbonylamino)phenoxy]-2-hydroxypropyl]azanium chloride
Names & synonyms
BL 245Carbamic acid, (4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, ethyl ester, monohydrochloride83263-76-7RefChem:332086
Database identifiers
- CAS
83263-76-7- PubChem CID
- 54980
Properties
Computed structural properties
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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