Basic information
- CAS
53824-20-7- Standard SMILES
CC[NH+](CC)CCOc1ccccc1-c1cc(C)no1.[Cl-]- InChIKey
KEWYKWFXBJRTEJ-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O2
- Average molar mass
- 310.82 g/mol
- Monoisotopic mass
- 310.1448057
Names & identifiers
- Preferred name
- Ethanamine, N,N-diethyl-2-(2-(3-methyl-5-isoxazolyl)phenoxy)-, monohydrochloride
- IUPAC
- diethyl-[2-[2-(3-methyl-1,2-oxazol-5-yl)phenoxy]ethyl]azanium chloride
Names & synonyms
3-Methyl-5-(beta-diethylamino-o-ethoxyphenyl)isoxazole hydrochlorideN,N-Diethyl-2-(2-(3-methyl-5-isoxazolyl)phenoxy)ethanamine hydrochlorideTriethylamine, 2-(o-(3-methyl-5-isozazolyl)phenoxy)-, monohydrochlorideETHANAMINE, N,N-DIETHYL-2-(2-(3-METHYL-5-ISOXAZOLYL)PHENOXY)-, MONOHYDROCHLORIDE53824-20-7RefChem:339868KEWYKWFXBJRTEJ-UHFFFAOYSA-N
Database identifiers
- CAS
53824-20-7- PubChem CID
- 40904
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Related reactions
1 records
Compound notes
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