Carbanilic acid, 2-((1-methylbutyl)amino)ethyl ester, hydrochloride

HCID 49523

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 67195-99-7
Standard SMILES: CCCC(C)[NH2+]CCOC(=O)Nc1ccccc1.[Cl-]
InChIKey: BNWXGJALTBGHBT-UHFFFAOYSA-N
Molecular formula: C14H23ClN2O2
Average molar mass: 286.8 g/mol
Monoisotopic mass: 286.1448057

Names & identifiers

Preferred name: Carbanilic acid, 2-((1-methylbutyl)amino)ethyl ester, hydrochloride
IUPAC: pentan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride

Names & synonyms

67195-99-7CARBANILIC ACID, 2-((1-METHYLBUTYL)AMINO)ETHYL ESTER, HYDROCHLORIDERefChem:10810582-((1-Methylbutyl)amino)ethyl carbanilate hydrochlorideNSC 120968

Database identifiers

CAS: 67195-99-7
PubChem CID: 49523

Properties

Computed structural properties

Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 228

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…