Nile Blue 2B

HCID 20520

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Basic information

CAS: 4451-88-1
Standard SMILES: CC[N+](CC)=c1ccc2nc3c(cc(NCc4ccccc4)c4ccccc43)oc-2c1.[Cl-]
InChIKey: FAJDWNKDRFAWLS-UHFFFAOYSA-N
Molecular formula: C27H26ClN3O
Average molar mass: 444 g/mol
Monoisotopic mass: 443.1764402

Names & identifiers

Preferred name: Nile Blue 2B
IUPAC: [5-(benzylamino)benzo[a]phenoxazin-9-ylidene]-diethylazanium chloride

Names & synonyms

Nile Blue 2BNile Blue BBC.I. 511854451-88-1Nilblau [German]NSC9612NSC 96125-(Benzylamino)-9-(diethylamino)benzo(a)phenazoxonium chlorideBENZO(a)PHENAZOXONIUM, 5-(BENZYLAMINO)-9-(DIETHYLAMINO)-, CHLORIDESCHEMBL10844076SCHEMBL29516371DTXSID30963235

Show more names

NSC-9612Benzo(a)phenoxazin-7-ium, 9-(diethylamino)-5-((phenylmethyl)amino)-, chloride9-diethylamino-5-(N-benzylamino)benzophenoxazin-7-ium chloride5-(Benzylamino)-9-(diethylamino)benzo[a]phenoxazin-7-ium chloride

Database identifiers

CAS: 4451-88-1
PubChem CID: 20520
DTXSID: DTXSID30963235

Properties

Computed structural properties

Topological polar surface area: 36.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 767

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