Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoate
Basic information
- CAS
3373-01-1- Standard SMILES
CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C- InChIKey
IWWWBRIIGAXLCJ-UHFFFAOYSA-N- Molecular formula
- C28H30N2O3
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.22564282
Overview
See also: Rhodamine 6G (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoate
- IUPAC
- ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate
Names & synonyms
Ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoateDTXSID908595693373-01-1Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoateEthyl 2-(6-(ethylamino)-3-[ethylimino]-2,7-dimethyl-3H-xanthen-9-yl)benzoateRefChem:1084772DTXCID40809771Basic Red 1Rhodanine 6GDNRhodamine 6 G extraAizen Rhodamine 6GCPC.I. 45160
Show more names
CHEMBL402140Rhodamine 6G baseNSC10474NSC36345NSC47732NSC-10474NSC-36345rhodamine-6zh
Database identifiers
- CAS
3373-01-1- PubChem CID
- 13807
- DTXSID
DTXSID90859569- ChEMBL
CHEMBL1652627- Nikkaji
- J144.415H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 868
Experimental & physicochemical properties
Collision Cross Section218.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1021243]
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Compound notes
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