Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride
Basic information
- CAS
67195-92-0- Standard SMILES
CCC(C)[NH2+]CCOC(=O)Nc1ccccc1.[Cl-]- InChIKey
NFQFWGJVKBLGIF-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2O2
- Average molar mass
- 272.77 g/mol
- Monoisotopic mass
- 272.1291556
Names & identifiers
- Preferred name
- Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride
- IUPAC
- butan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Names & synonyms
CARBANILIC ACID, 2-(sec-BUTYLAMINO)ETHYL ESTER, HYDROCHLORIDERefChem:108106167195-92-02-(sec-Butylamino)ethyl carbanilate hydrochlorideDTXSID201384481NSC 120891butan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium;chloride
Database identifiers
- CAS
67195-92-0- PubChem CID
- 49509
- DTXSID
DTXSID201384481
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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