Basic information
- CAS
63018-49-5- Standard SMILES
O=C(O)CNC(=O)Nc1cc2cc3ccccc3cc2c2ccccc12- InChIKey
YAECHEHCBPOUHZ-UHFFFAOYSA-N- Molecular formula
- C21H16N2O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11609238
Names & identifiers
- Preferred name
- GLYCINE, N-(BENZ(a)ANTHRACEN-5-YLCARBAMOYL)-
- IUPAC
- 2-(benzo[a]anthracen-5-ylcarbamoylamino)acetic acid
- English name
- N-(Benz[a]anthracen-5-ylcarbamoyl)glycine
- Molecular formula
- C21H16N2O3
- Molecular weight
- 344.36
Names & synonyms
GLYCINE, N-(BENZ(a)ANTHRACEN-5-YLCARBAMOYL)-63018-49-5N-(Benz(a)anthracen-5-ylcarbamoyl)glycineN-(Benz[a]anthracen-5-ylcarbamoyl)glycineBRN 34549791,2-Benzanthryl-3-carbamidoacetic acid2-(benzo[a]anthracen-5-ylcarbamoylamino)acetic acidDTXSID00212242N-[(Tetraphen-5-yl)carbamoyl]glycineDB-320509Glycine, N-[(benz[a]anthracen-5-ylamino)carbonyl]-
Database identifiers
- CAS
63018-49-5- PubChem CID
- 44262
- DTXSID
DTXSID00212242- Nikkaji
- J122.452B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Boiling point
- 479.47 °C · 479.47°C (rough estimate)
- Density
- 1.2641 · 1.2641 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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