3-(3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazin-5-yl)-N,N-dimethylpropan-1-amine
Basic information
- CAS
27225-85-0- Standard SMILES
CN(C)CCCN1c2ccccc2Oc2nnc(Cl)cc21- InChIKey
WGSMDUOSIYVQBT-UHFFFAOYSA-N- Molecular formula
- C15H17ClN4O
- Average molar mass
- 304.77 g/mol
- Monoisotopic mass
- 304.1090889
Names & identifiers
- Preferred name
- 3-(3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazin-5-yl)-N,N-dimethylpropan-1-amine
- IUPAC
- 3-(3-chloropyridazino[3,4-b][1,4]benzoxazin-5-yl)-N,N-dimethylpropan-1-amine
- English name
- [3-(3-Chloro-9-oxa-1,2,10-triaza-anthracen-10-yl)-propyl]-dimethyl-amine
- Molecular formula
- C15H17ClN4O
- Molecular weight
- 304.77
Names & synonyms
27225-85-03-(3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazin-5-yl)-N,N-dimethylpropan-1-amine3-(3-Chloropyridazino[3,4-b][1,4]benzoxazin-5-yl)-n,n-dimethyl-propan-1-amine3-(3-chloropyridazino[3,4-b][1,4]benzoxazin-5-yl)-N,N-dimethylpropan-1-amine3-(3-Chloro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl)-N,N-dimethylpropan-1-amine3-Chloro-N,N-dimethyl-5H-pyridazino[3,4-b][1,4]benzoxazine-5-propanamineCBDivE_013037Oprea1_103515Oprea1_549797DTXSID20423313BBL023220MFCD00299158
Show more names
cloproxazine[3-(3-Chloro-9-oxa-1,2,10-triaza-anthracen-10-yl)-propyl]-dimethyl-amine5H-Pyridazino[3,4-b][1,4]benzoxazine-5-propanamine, 3-chloro-N,N-dimethyl-3-(3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazin-5-yl)-N,N-dimethyl-1-propanamine
SBB080690STL308740AKOS005267104CCG-274885CS-0333393AH-262/32491063[3-(3-chlorobenzo[e]pyridazino[3,4-b]1,4-oxazaperhydroin-5-yl)propyl]dimethyla mineN-[3-(3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazin-5-yl)propyl]-N,N-dimethylamine
Database identifiers
- CAS
27225-85-0- PubChem CID
- 6402906
- DTXSID
DTXSID20423313
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 486.8 · 486.8±45.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 9.26 · 9.26±0.28(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
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Compound notes
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