2-[(2-Nitrophenanthridin-6-yl)amino]butan-1-ol
Basic information
- CAS
38053-03-1- Standard SMILES
CCC(CO)Nc1nc2ccc([N+](=O)[O-])cc2c2ccccc12- InChIKey
MCPPSAYOIQJUQS-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.12699141
Overview
See also: 2-(2-Nitro-6-phenanthridinylamino)-1-butanol (annotation moved to).
Names & identifiers
- Preferred name
- 2-[(2-Nitrophenanthridin-6-yl)amino]butan-1-ol
- IUPAC
- 2-[(2-nitrophenanthridin-6-yl)amino]butan-1-ol
- English name
- 2-(2-Nitro-6-phenanthridinylamino)-1-butanol
- Molecular formula
- C17H17N3O3
- Molecular weight
- 311.34
Names & synonyms
2-[(2-nitrophenanthridin-6-yl)amino]butan-1-ol38053-03-12-((2-Nitrophenanthridin-6-yl)amino)butan-1-olNSC147359DTXSID90301912AKOS024337712NSC-1473592-[(2-nitro-6-phenanthridinyl)amino]-1-butanol2-(2-Nitro-6-phenanthridinylamino)-1-butanol1-Butanol, 2-[(2-nitro-6-phenanthridinyl)amino]-
Database identifiers
- CAS
38053-03-1- PubChem CID
- 287385
- DTXSID
DTXSID90301912
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 557.5 · 557.5±40.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 14.5 · 14.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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-H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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