Basic information
- CAS
36904-07-1- Standard SMILES
CCN(CC)CCOC(=O)c1cccc(C)c1.Cl- InChIKey
RSJBBFCIDNPHOU-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO2
- Average molar mass
- 271.78 g/mol
- Monoisotopic mass
- 271.1339066
Names & identifiers
- Preferred name
- m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 3-methylbenzoate;hydrochloride
Names & synonyms
36904-07-1m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochlorideNSC-75134Benzoic acid, 3-methyl-, 2-(diethylamino)ethyl ester, hydrochloride87X8WAQ5RCDTXSID501903842-(DIETHYLAMINO)ETHYL 3-METHYLBENZOATE HYDROCHLORIDERefChem:1088691DTXCID60112875NSC 75134m-Toluic acid, hydrochlorideNSC75134
Show more names
WLN: 2N2&2OVR C1 &GH2-(Diethylamino)ethyl 3-methylbenzoate--hydrogen chloride (1/1)Benzoic acid, 3-methyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Database identifiers
- CAS
36904-07-1- PubChem CID
- 215967
- DTXSID
DTXSID50190384- UNII
- 87X8WAQ5RC
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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