1-[(2-aminoethyl)amino]-6-methyl-9H-xanthen-9-one
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Basic information
- CAS
359028-07-2- Standard SMILES
Cc1ccc2c(=O)c3c(NCCN)cccc3oc2c1- InChIKey
KTGBLLOMONQARX-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 1-[(2-aminoethyl)amino]-6-methyl-9H-xanthen-9-one
- IUPAC
- 1-(2-aminoethylamino)-6-methylxanthen-9-one
- English name
- 1-[(2-AMINOETHYL)AMINO]-6-METHYL-9H-XANTHEN-9-ONE
- Molecular formula
- C16H16N2O2
- Molecular weight
- 268.31
Names & synonyms
1-[(2-aminoethyl)amino]-6-methyl-9H-xanthen-9-one359028-07-21-((2-Aminoethyl)amino)-6-methyl-9H-xanthen-9-one1-(2-aminoethylamino)-6-methylxanthen-9-one1-(2-aminoethylamino)-6-methyl-xanthen-9-oneMFCD03425811AKOS0050711927T-02961-[(2-aminoethyl)amino]-6-methyl-9H- xanthen-9-one9H-Xanthen-9-one, 1-[(2-aminoethyl)amino]-6-methyl-
Database identifiers
- CAS
359028-07-2- PubChem CID
- 2764305
- Nikkaji
- J1.567.465B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Melting point
- 178 · 178-180°C
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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