3-[Bis(2-hydroxyethyl)amino]propanamide

HCID 14799301

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Basic information

CAS: 34787-23-0
Standard SMILES: NC(=O)CCN(CCO)CCO
InChIKey: SYZUGLQBWBAARW-UHFFFAOYSA-N
Molecular formula: C7H16N2O3
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.11609238

Names & identifiers

Preferred name: 3-[Bis(2-hydroxyethyl)amino]propanamide
IUPAC: 3-[bis(2-hydroxyethyl)amino]propanamide

Names & synonyms

3-[bis(2-hydroxyethyl)amino]propanamideSCHEMBL3109742SCHEMBL4329447DTXSID201279250AKOS00896331234787-23-0N~3~,N~3~-Bis(2-hydroxyethyl)-beta-alaninamide

Database identifiers

CAS: 34787-23-0
PubChem CID: 14799301
DTXSID: DTXSID201279250

Properties

Computed structural properties

XLogP: -2.3
Topological polar surface area: 86.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 124

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