1-(2-Nitrophenyl)piperazine

C₁₀H₁₃N₃O₂CAS 59084-06-9207.23 g/mol

Open in Covalent MOL file

Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₃N₃O₂
Molar mass: 207.23 g/mol
Exact mass: 207.1008 Da
Boiling point: 120–126 °C (at 0.1 Torr)
logP: 1.00Crippen estimate
Polar surface area: 58.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed37.5% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59084-06-9

SMILES

O=[N+]([O-])c1ccccc1N1CCNCC1

InChIKey

YJRCDSXLKPERNV-UHFFFAOYSA-N

InChI

InChI=1S/C10H13N3O2/c14-13(15)10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11H,5-8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Piperazine, 1-(2-nitrophenyl)-
Piperazine, 1-(o-nitrophenyl)-
N-(2-Nitrophenyl)piperazine

Work with 1-(2-Nitrophenyl)piperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine58315-38-159 % similar 4-Nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole139332-66-457 % similar 1-(2-Chloro-4-nitrophenyl)piperazine114878-60-352 % similar 1-(2-Fluoro-4-nitrophenyl)piperazine154590-33-752 % similar 1,2-Dinitrobenzene528-29-050 % similar 1-(2-Bromophenyl)piperazine1011-13-849 % similar 1-(6-Nitropyridin-3-yl)piperazine775288-71-648 % similar 4-(5-Nitropyridin-2-yl)piperazine82205-58-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Hydrazinobenzyl)-2-oxazolidinone171550-12-2 1-(2-Pyrimidinyl)-4-piperidinecarboxylic acid303144-44-7 1-(4-Nitrophenyl)piperazine6269-89-2 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate937046-96-3

Elsewhere

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