Einecs 284-587-0

HCID 44153200

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Basic information

CAS: 84930-07-4
Standard SMILES: O=C(O)c1ccccc1C(=O)N(CCO)CCO.OCCNCCO
InChIKey: CAKUKDGODVSZDC-UHFFFAOYSA-N
Molecular formula: C16H26N2O7
Average molar mass: 358.39 g/mol
Monoisotopic mass: 358.17400117

Names & identifiers

Preferred name: Einecs 284-587-0
IUPAC: 2-[bis(2-hydroxyethyl)carbamoyl]benzoic acid;2-(2-hydroxyethylamino)ethanol

Names & synonyms

EINECS 284-587-084930-07-42-((Bis(2-hydroxyethyl)amino)carbonyl)benzoic acid, compound with 2,2'-iminobis(ethanol) (1:1)DTXSID402339712-[Bis(2-hydroxyethyl)carbamoyl]benzoic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)

Database identifiers

CAS: 84930-07-4
PubChem CID: 44153200
DTXSID: DTXSID40233971
EC Number: 284-587-0

Properties

Computed structural properties

Topological polar surface area: 151 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 25
Formal charge: 0
Complexity: 317

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