Basic information
- CAS
84145-81-3- Standard SMILES
CNc1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
LMQSIQULBJSLFX-UHFFFAOYSA-O- Molecular formula
- C39H36BN3S
- Average molar mass
- 589.6 g/mol
- Monoisotopic mass
- 589.2722995
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium tetraphenylborate
- IUPAC
- dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;tetraphenylboranuide
- English name
- 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium tetraphenylborate
- Molecular formula
- C39H36BN3S
- Molecular weight
- 589.59924
Names & synonyms
EINECS 282-310-884145-81-33-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium tetraphenylborateLMQSIQULBJSLFX-UHFFFAOYSA-ODTXSID601004419NS000893717-(Dimethylamino)-N-methyl-3H-phenothiazin-3-iminium tetraphenylborate(1-)
Database identifiers
- CAS
84145-81-3- PubChem CID
- 44153991
- DTXSID
DTXSID601004419- EC Number
- 282-310-8
Properties
Computed structural properties
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 799
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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