xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
Basic information
- CAS
102330-07-4- Standard SMILES
N=c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N)cc3oc-2c1- InChIKey
UPZKDDJKJWYWHQ-UHFFFAOYSA-N- Molecular formula
- C20H14N2O3
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.10044231
Overview
See also: Rhodamine 110 (annotation moved to).
Names & identifiers
- Preferred name
- xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
- IUPAC
- 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid
- English name
- 3,6-Diamino-9-(2-carboxylatophenyl)xanthylium
- Molecular formula
- C20H14N2O3
- Molecular weight
- 330.34
Names & synonyms
30378-58-6Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner saltBenzoic acid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-DTXSID601202473RefChem:902286DTXCID401633905Rhodamine 1102-(3,6-Diaminoxanthylium-9-yl)benzoate2-(3-amino-6-iminoxanthen-9-yl)benzoic acid3,6-Diamino-9-(2-carboxylatophenyl)xanthylium2-(6-amino-3-imino-3h-xanthen-9-yl)benzoic acidSCHEMBL458205
Show more names
DTXSID60907369UPZKDDJKJWYWHQ-UHFFFAOYSA-NXanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, hydroxide, inner saltDB-2265362-(3,6-Diaminoxanthen-10-ium-9-yl)benzoate102330-07-4
Database identifiers
- CAS
102330-07-4、30378-58-6- PubChem CID
- 65204
- DTXSID
DTXSID60907369- Nikkaji
- J422.249K、J551.969A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 691
Physicochemical properties
- EPA Substance Registry System
- 3 · Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt (30378-58-6)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationXanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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