2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzamide
Basic information
- CAS
246512-44-7- Standard SMILES
COc1cc(N)c(C(N)=O)cc1OCCCN1CCOCC1- InChIKey
HFUBNPPCNQAACT-UHFFFAOYSA-N- Molecular formula
- C15H23N3O4
- Average molar mass
- 309.36 g/mol
- Monoisotopic mass
- 309.16885622
Names & identifiers
- Preferred name
- 2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzamide
- IUPAC
- 2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzamide
- English name
- 2-aMino-4-Methoxy-5-(3-Morpholinopropoxy)benzaMide
- Molecular formula
- C15H23N3O4
- Molecular weight
- 309.36
Names & synonyms
246512-44-7Gefitinib impurity 22-amino-4-methoxy-5-(3-morpholinopropoxy)benzamide2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzamideGefitinib Impurity 18Benzamide, 2-amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]-MFCD26395622Gefitinib Impurity 502-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzamideHY-100663CS-0019903I11734
Show more names
Gefitinib-12Gefintinib Impurity 1Gefitinib impurities129Gefitinib impurity 10/2-amino-4-methoxy-5-(3-morpholinopropoxy)benzamide
Gefitinib Impurity N22-AMINO-4-METHOXY-5-[3-(MORPHOLIN-4-YL)PROPOXY]BENZAMIDESCHEMBL3284976SE89G5S9V42-amino-4-methoxy-5-(3-moSCHEMBL365980532-Amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)-benzamideDTXSID40469859
Database identifiers
- CAS
246512-44-7- PubChem CID
- 11638144
- DTXSID
DTXSID40469859- UNII
- SE89G5S9V4
- Nikkaji
- J1.645.364A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 153.5 °C · 153.5 °C
- Boiling point
- 460.6 · 460.6±45.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- form
- Solid
- pka
- 15.86 · 15.86±0.50(Predicted)
- color
- Off-white to pink
- InChI
- InChI=1S/C15H23N3O4/c1-20-13-10-12(16)11(15(17)19)9-14(13)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8,16H2,1H3,(H2,17,19)
- InChIKey
- HFUBNPPCNQAACT-UHFFFAOYSA-N
- SMILES
- C(N)(=O)C1=CC(OCCCN2CCOCC2)=C(OC)C=C1N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzamide is an impurity of Gefitinib (G304000); an antineoplastic.
Related reactions
2 records
Compound notes
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