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3-(N-ethylanilino)propane-1,2-diol

HCID 458693
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
92-58-0
Standard SMILES
CCN(CC(O)CO)c1ccccc1
InChIKey
SAOJIGZKFVGZDC-UHFFFAOYSA-N
Molecular formula
C11H17NO2
Average molar mass
195.26 g/mol
Monoisotopic mass
195.12592879

Names & identifiers

Preferred name
3-(N-ethylanilino)propane-1,2-diol
IUPAC
3-(N-ethylanilino)propane-1,2-diol

Names & synonyms

3-(N-ethylanilino)propane-1,2-diol92-58-03-N-Ethylanilino-1,2-propanesiolSCHEMBL1059610DTXSID60332551SAOJIGZKFVGZDC-UHFFFAOYSA-NAKOS0175148033-(ethyl-phenyl-amino)-propane-1,2-diolrac-3-(ethyl-phenyl-amino)-propane-1,2-diol3-[ETHYL(PHENYL)AMINO]PROPANE-1,2-DIOL

Database identifiers

CAS
92-58-0
PubChem CID
458693
DTXSID
DTXSID60332551

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
43.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
146

Related reactions

8 records
New reaction record
HRID 252022 reaction equation
HRID 252022As productuspto-grants-2011_01
HRID 252023 reaction equation
HRID 252023As reactantuspto-grants-2011_01
HRID 1159175 reaction equation
HRID 1159175As productuspto-grants-2010_10
HRID 1561160 reaction equation
HRID 1561160As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2249876 reaction equation
HRID 2249876As productuspto-grants-2008_01
HRID 2249877 reaction equation
HRID 2249877As reactantuspto-grants-2008_01
HRID 2361864 reaction equation
HRID 2361864As productuspto-grants-2014_04
HRID 2361865 reaction equation
HRID 2361865As reactantuspto-grants-2014_04

Compound notes

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