Ethanol, 2-(N-(2-chloroethyl)anilino)-, iodoacetate

HCID 215852

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 36455-68-2
Standard SMILES: O=C(CI)OCCN(CCCl)c1ccccc1
InChIKey: CSTXSBAOBAAJGF-UHFFFAOYSA-N
Molecular formula: C12H15ClINO2
Average molar mass: 367.61 g/mol
Monoisotopic mass: 366.9836

Names & identifiers

Preferred name: Ethanol, 2-(N-(2-chloroethyl)anilino)-, iodoacetate
IUPAC: 2-[N-(2-chloroethyl)anilino]ethyl 2-iodoacetate

Names & synonyms

BRN 2986403Ethanol, 2-(N-(2-chloroethyl)anilino)-, iodoacetate36455-68-22-(N-(2-Chloroethyl)anilino)ethanol iodoacetateN-(2-Chloroethyl)-N-(2-iodoacetoxyethyl)anilineAcetic acid, iodo-, 2-((2-chloroethyl)phenylamino)ethyl esterDTXSID80189968RefChem:340917DTXCID401124592-[(2-chloroethyl)(phenyl)amino]ethyl iodoacetate

Database identifiers

CAS: 36455-68-2
PubChem CID: 215852
DTXSID: DTXSID80189968

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 223

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…