Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester
Basic information
- CAS
5014-25-5- Standard SMILES
CCN(CC)CCOc1ccccc1C(=O)OC- InChIKey
MDJGIUGPZDSKSV-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester
- IUPAC
- methyl 2-[2-(diethylamino)ethoxy]benzoate
- English name
- o-[2-(Diethylamino)ethoxy]benzoic acid methyl ester
- Molecular formula
- C14H21NO3
- Molecular weight
- 251.32
Names & synonyms
5014-25-5Sch 1316BENZOIC ACID, o-(2-(DIETHYLAMINO)ETHOXY)-, METHYL ESTERBRN 2697136o-(2-(Diethylamino)ethoxy)benzoic acid methyl esterDTXSID201982164-10-00-00148 (Beilstein Handbook Reference)RefChem:327753DTXCID50120707methyl 2-[2-(diethylamino)ethoxy]benzoateSCHEMBL383924Sch-1316
Show more names
o-[2-(Diethylamino)ethoxy]benzoic acid methyl esterBenzoic acid, 2-[2-(diethylamino)ethoxy]-, methyl ester
Database identifiers
- CAS
5014-25-5- PubChem CID
- 21110
- DTXSID
DTXSID20198216- Nikkaji
- J83.338J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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