4-(9-acridinylamino)-N-(lysylglycyl)aniline
Basic information
- CAS
83209-81-8- Standard SMILES
NCCCC[C@H](N)C(=O)NC(=O)CNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
YEXGYZIPIKLMOU-QFIPXVFZSA-N- Molecular formula
- C27H30N6O2
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.24302422
Overview
RN from Toxlit
Names & identifiers
- Preferred name
- 4-(9-acridinylamino)-N-(lysylglycyl)aniline
- IUPAC
- (2S)-N-[2-[4-(acridin-9-ylamino)anilino]acetyl]-2,6-diaminohexanamide
- English name
- (2S)-N-[2-[[4-(acridin-9-ylamino)phenyl]amino]acetyl]-2,6-diamino-hexa namide
- Molecular formula
- C27H30N6O2
- Molecular weight
- 470.57
Names & synonyms
Acridinylamino-lga83209-81-84-(9-Acridinylamino)-N-(lysylglycyl)anilineRefChem:97310(2S)-N-[2-[4-(acridin-9-ylamino)anilino]acetyl]-2,6-diaminohexanamideDTXSID701003202Glycinamide, L-lysyl-N-(4-(9-acridinylamino)phenyl)-{4-[(Acridin-9(10H)-ylidene)amino]anilino}-N-L-lysylethanimidic acid2-{4-[(Acridin-9(10H)-ylidene)amino]anilino}-N-lysylethanimidic acid(2S)-N-[2-[[4-(acridin-9-ylamino)phenyl]amino]acetyl]-2,6-diamino-hexa namide(S)-N-(4-(Acridin-9-ylamino)phenyl)-2,6-diamino-N-(2-amino-2-oxoethyl)hexanamide
Database identifiers
- CAS
83209-81-8- PubChem CID
- 134192
- DTXSID
DTXSID701003202
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 661
Physicochemical properties
- Boiling point
- 786.727 · 786.727±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.167 · 13.167±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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