1-((4-Bromophenyl)diazenyl)pyrrolidine

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Basic information

CAS: 147227-33-6
Standard SMILES: Brc1ccc(N=NN2CCCC2)cc1
InChIKey: VNIADXHPZRPGIW-UHFFFAOYSA-N
Molecular formula: C10H12BrN3
Average molar mass: 254.13 g/mol

Names & identifiers

Preferred name: 1-((4-Bromophenyl)diazenyl)pyrrolidine
IUPAC: (4-bromophenyl)-pyrrolidin-1-yldiazene

Names & synonyms

1-[(E)-2-(4-bromophenyl)diazen-1-yl]pyrrolidine147227-33-6250160-26-01-((4-Bromophenyl)diazenyl)pyrrolidineNSC6877481-[(1e)-2-(4-bromophenyl)diazen-1-yl]pyrrolidine1-[(e)-(4-bromophenyl)diazenyl]pyrrolidineCHEMBL573628SCHEMBL1064134SCHEMBL1064135DTXSID00327805VNIADXHPZRPGIW-OUKQBFOZSA-N

Show more names

VNIADXHPZRPGIW-UHFFFAOYSA-NAKOS016353897NSC-687748NCI60_0316371-[2-(4-Bromophenyl)diazenyl]pyrrolidineDB-201427(E)-1-((4-Bromophenyl)diazenyl)pyrrolidineCS-0260602

Database identifiers

CAS: 147227-33-6
PubChem CID: 390394
DTXSID: DTXSID00327805
ChEMBL: CHEMBL573628
Nikkaji: J1.413.833A

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 28 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 194

Related reactions

3 records

New reaction record

HRID 522665As productuspto-grants-2016_05

HRID 522666As reactantuspto-grants-2016_05

HRID 2326281As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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