Dataset

1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol

Chemical Info

InChI	InChI=1S/C12H19NO3/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,14H,6-9,13H2,1H3
SMILES	NCC(COC1=CC=C(C=C1)CCOC)O
InChI Key	XJWXVDJGNOHFLR-UHFFFAOYSA-N
Molecular Formula	C12H19NO3
Exact Mass	225.136 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UvA_IBED-UI000101
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T19:56:36.801228
MetadataModified	2025-02-09T19:56:37.019239
MetadataPublished	2024-08-27

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL11093561	SureChEMBL
15093162	PubChem: Thomson Pharma
10105079	PubChem
DTXSID30435689	EPA CompTox Dashboard
J437.460F	Nikkaji
The data in this table is sourced from UniChem at EBI.