3,6-diamino-10H-acridin-9-one
Basic information
- CAS
42832-87-1- Standard SMILES
Nc1ccc2c(=O)c3ccc(N)cc3[nH]c2c1- InChIKey
KKKYRANCRKCGDB-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Names & identifiers
- Preferred name
- 3,6-diamino-10H-acridin-9-one
- IUPAC
- 3,6-diamino-10H-acridin-9-one
- English name
- 3,6-diamino-9(10)-acridone
- Molecular formula
- C13H11N3O
- Molecular weight
- 225.25
Names & synonyms
42832-87-13,6-diamino-10H-acridin-9-oneDTXSID40404907RefChem:272284DTXCID203557613,6-DIAMINO-9(10H)-ACRIDONE3,6-Diaminoacridin-9(10H)-one3,6-diamino-9(10)-acridone3,6-DIAMINO-9-ACRIDONE3,6-DIAMINO-9,10-DIHYDROACRIDIN-9-ONE3,6-diamino-9(10h)acridoneCHEMBL122057
Show more names
9(10H)-Acridinone, 3,6-diamino-3,6-Diamino-9,10-dihydro-9-oxoacridine3,6-Diamino-9,10-dihydroacridine-9-one
orb1689733SCHEMBL5332607SCHEMBL313124503,6-Diaminoaridin-9(10H)-oneMFCD04039505DA-49516HY-147182CS-0530560
Database identifiers
- CAS
42832-87-1- PubChem CID
- 4614743
- DTXSID
DTXSID40404907- ChEMBL
CHEMBL122057- Nikkaji
- J89.495H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 300 °C · >300°C dec.
- Boiling point
- 523.9 · 523.9±50.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly, Heated), Methanol (Very Slightly)
- form
- Solid
- pka
- 2.92 · 2.92±0.20(Predicted)
- color
- Light Brown to Dark Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses3,6-Diamino-9(10H)-acridone (cas# 42832-87-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…