4-(2-(Hydroxy(oxido)amino)anilino)-2-propyl-1,2lambda(5),3-benzotriazine

HCID 494142

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 29365-98-8
Standard SMILES: CCC[n+]1nc(Nc2ccccc2[N+](=O)[O-])c2ccccc2n1
InChIKey: OYLRTZFYBZAFLG-UHFFFAOYSA-N
Molecular formula: C16H16N5O2+
Average molar mass: 310.33 g/mol
Monoisotopic mass: 310.13039977

Names & identifiers

Preferred name: 4-(2-(Hydroxy(oxido)amino)anilino)-2-propyl-1,2lambda(5),3-benzotriazine
IUPAC: N-(2-nitrophenyl)-2-propyl-1,2,3-benzotriazin-2-ium-4-amine

Names & synonyms

NSC 13866129365-98-84-(2-(Hydroxy(oxido)amino)anilino)-2-propyl-1,2lambda(5),3-benzotriazineJQ5RU4X4PTDTXSID00183589N-(2-nitrophenyl)-2-propyl-1,2,3-benzotriazin-2-ium-4-amine4-(2-Nitroanilino)-2-propyl-1,2,3-benzotriazin-2-ium1,2,3-Benzotriazinium, 4-[(2-nitrophenyl)amino]-2-propyl-, inner salt4-(2-(Hydroxy(oxido)amino)anilino)-2-propyl-1,2.lambda.~5~,3-benzotriazine

Database identifiers

CAS: 29365-98-8
PubChem CID: 494142
DTXSID: DTXSID00183589
UNII: JQ5RU4X4PT

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 87.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 1
Complexity: 402

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…