Basic information
- CAS
951-80-4- Standard SMILES
Nc1ccc2c(N)c3ccccc3nc2c1- InChIKey
AMOPBNMABDFREG-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 3,9-Acridinediamine
- IUPAC
- acridine-3,9-diamine
- English name
- acridine-3,9-diamine
- Molecular formula
- C13H11N3
- Molecular weight
- 0
Names & synonyms
3,9-AcridinediamineACRIDINE, 3,9-DIAMINO-CCRIS 21102,5-Diaminoacridine (European)FB6AX5A48UBRN 0171920DTXSID002417545-22-11-00332 (Beilstein Handbook Reference)RefChem:1981403,9-Acridinediamine (9CI)DTXCID30164245Acridine-3,9-diamine
Show more names
3,9-DIAMINO-ACRIDINE
3,9-Diaminoacridine951-80-4UNII-FB6AX5A48U6,9-Diamino-acridin-FarbstoffCHEMBL147630SCHEMBL4163642AMOPBNMABDFREG-UHFFFAOYSA-Nacridine-3,9-diamine;3,9-DIAMINO-ACRIDINE;3,9-Acridinediamine
Database identifiers
- CAS
951-80-4- PubChem CID
- 13713
- DTXSID
DTXSID00241754- ChEMBL
CHEMBL147630- UNII
- FB6AX5A48U
- Nikkaji
- J55.100G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 146 °C · 146°C
- Boiling point
- 338.61 °C · 338.61°C (rough estimate)
- Density
- 1.1847 · 1.1847 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 6 AX5A48U · FB6AX5A48U
Chemistry & industry
Suppliers1 total
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Related reactions
1 records
Compound notes
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