Caproxamine
Basic information
- CAS
53078-44-7- Standard SMILES
CCCCC/C(=N\OCCN)c1ccc(C)c(N)c1- InChIKey
ZIWQJHATUBOOFD-OBGWFSINSA-N- Molecular formula
- C15H25N3O
- Average molar mass
- 263.38 g/mol
- Monoisotopic mass
- 263.19976243
Overview
Caproxamine is a small molecule drug. Caproxamine has a monoisotopic molecular weight of 263.2 Da.
Names & identifiers
- Preferred name
- Caproxamine
- IUPAC
- 5-[(E)-N-(2-aminoethoxy)-C-pentylcarbonimidoyl]-2-methylaniline
- English name
- Caproxamine
- Molecular formula
- C15H25N3O
- Molecular weight
- 263.38
Names & synonyms
Caproxamine53078-44-7CaproxaminaDU-22550 free baseCaproxamine [INN]UNII-7YQT3114301-Hexanone, 1-(3-amino-4-methylphenyl)-, O-(2-aminoethyl)oxime, (E)-7YQT311430Caproxaminum3'-Amino-4'-methylhexanophenone o-(2-aminoethyl)oximeCaproxamine [INN:BAN]24047-16-3
Show more names
(E)-1-(3-Amino-4-methylphenyl)-1-hexanone O-(2-aminoethyl)oxime
1-Hexanone, 1-(3-amino-4-methylphenyl)-, O-(2-aminoethyl)oxime, (1E)-DU 22550 (AS SULFATE)DU 22550 [AS SULFATE]RefChem:1233025-[(E)-N-(2-aminoethoxy)-C-pentylcarbonimidoyl]-2-methylaniline(E)-1-(3-Amino-4-methylphenyl)hexan-1-one O-(2-aminoethyl) oxime1-Hexanone, 1-(3-amino-4-methylphenyl)-, O-(2-aminoethyl)oximeCHEMBL3989579
Database identifiers
- CAS
53078-44-7- PubChem CID
- 5492298
- DTXSID
DTXSID301029579- ChEMBL
CHEMBL3989579- UNII
- 7YQT311430
- Nikkaji
- J9.728D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 413.6 · 413.6±55.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 9.46 · 9.46±0.10(Predicted)
- FDA UNII
- 7 YQT311430 · 7YQT311430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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