4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
58568-02-8- Standard SMILES
CC(C)(C)CCCOC(=O)C([NH3+])c1ccccc1.[Cl-]- InChIKey
FMBRSROHJFHPES-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO2
- Average molar mass
- 285.81 g/mol
- Monoisotopic mass
- 285.1495567
Names & identifiers
- Preferred name
- 4,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- [2-(4,4-dimethylpentoxy)-2-oxo-1-phenylethyl]azanium chloride
Names & synonyms
58568-02-8DTXSID909741204,4-Dimethylpentyl amino(phenyl)acetate--hydrogen chloride (1/1)RefChem:1069342DTXCID001401556DL-2-Phenylglycine 4,4-dimethylpentyl ester hydrochlorideGLYCINE, 2-PHENYL-, 4,4-DIMETHYLPENTYL ESTER, HYDROCHLORIDE, DL-Benzeneacetic acid, alpha-amino-, 4,4-dimethylpentyl ester, hydrochloride, (+-)-
Database identifiers
- CAS
58568-02-8- PubChem CID
- 42775
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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