CID 614013
Basic information
- CAS
86-40-8- Standard SMILES
C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-]- InChIKey
KKAJSJJFBSOMGS-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.0876252
Overview
See also: 3,6-Diamino-10-methylacridinium Chloride (preferred).
Names & identifiers
- Preferred name
- CID 614013
- IUPAC
- 10-methylacridin-10-ium-3,6-diamine chloride
- English name
- 3,6-Diamino-10-methylacridinium chloride
- Molecular formula
- C14H14ClN3
- Molecular weight
- 259.73
Names & synonyms
AvlonburnolAcriflavonCHROMOFLAVINETIMTEC-BB SBB003092LABOTEST-BB LT00244810Acriflavine (component of)3,6-diamino-10-methyl-acridiniuchlorideAcridinium, 3,6-diamino-10-methyl-, chloride3,6-Diamino-10-methylacridin-10-ium chloride
Database identifiers
- CAS
86-40-8- PubChem CID
- 614013
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- form
- Powder
- color
- Orange
- CAS DataBase Reference
- 86 · 86-40-8
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 TW3Q60E36 · 1TW3Q60E36
- EPA Substance Registry System
- 3 · 3,6-Diamino-10-methylacridinium chloride (86-40-8)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Additional notes
DefinitionChEBI: The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine.
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Related reactions
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Compound notes
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