Acetic acid, phenoxy-, alpha-((isopropylmethylamino)methyl)benzyl ester, hydrochloride
Basic information
- CAS
94912-15-9- Standard SMILES
CC(C)[NH+](C)CC(OC(=O)COc1ccccc1)c1ccccc1.[Cl-]- InChIKey
OIBKODGQDGGHIP-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO3
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.1601214
Names & identifiers
- Preferred name
- Acetic acid, phenoxy-, alpha-((isopropylmethylamino)methyl)benzyl ester, hydrochloride
- IUPAC
- methyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]-propan-2-ylazanium chloride
Names & synonyms
Phenoxyacetic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride94912-15-9Acetic acid, phenoxy-, alpha-((isopropylmethylamino)methyl)benzyl ester, hydrochlorideRefChem:316680METHYL-[2-(2-PHENOXYACETYL)OXY-2-PHENYLETHYL]-PROPAN-2-YLAZANIUMCHLORIDECID56828, LS-12704, Phenoxyacetic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride, Acetic acid, phenoxy-, alpha-((isopropylmethylamino)methyl)benzyl ester, hydrochloride, 94912-15-9
Database identifiers
- CAS
94912-15-9- PubChem CID
- 56828
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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