Methyl 3-{[(2-hydroxyethyl)(propyl)amino]methyl}benzoate

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Basic information

CAS: 597561-79-0
Standard SMILES: CCCN(CCO)Cc1cccc(C(=O)OC)c1
InChIKey: WXBXBNZFKHXQIG-UHFFFAOYSA-N
Molecular formula: C14H21NO3
Average molar mass: 251.32 g/mol
Monoisotopic mass: 251.15214353

Names & identifiers

Preferred name: Methyl 3-{[(2-hydroxyethyl)(propyl)amino]methyl}benzoate
IUPAC: methyl 3-[[2-hydroxyethyl(propyl)amino]methyl]benzoate

Names & synonyms

Methyl 3-{[(2-hydroxyethyl)(propyl)amino]methyl}benzoateSCHEMBL3350068WXBXBNZFKHXQIG-UHFFFAOYSA-NDTXSID501211354AKOS009074253597561-79-0Methyl 3-[[(2-hydroxyethyl)propylamino]methyl]benzoate

Database identifiers

CAS: 597561-79-0
PubChem CID: 21086147
DTXSID: DTXSID501211354

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 245

Related reactions

2 records

New reaction record

HRID 14104As reactantuspto-grants-2010_06

HRID 348896As reactantuspto-grants-2007_02

Compound notes

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