5-(4-Methylpiperazin-1-yl)-2-nitroaniline

C11H16N4O2CAS 23491-48-7236.27 g/mol

Open in Covalent MOL file
NNN+OO−NH2
NitroPrimary amineTertiary amine

Properties

Molecular formula
C11H16N4O2
Molar mass
236.27 g/mol
Exact mass
236.1273 Da
logP
0.93Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
23491-48-7
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N
InChIKey
MWLBMGPQZJDFKZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3

Weigh it out

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Work with 5-(4-Methylpiperazin-1-yl)-2-nitroaniline

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

1-Methyl-4-(4-nitrophenyl)piperazine16155-03-660 % similar 1-[1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine761440-65-756 % similar 4-Amino-N,N-dimethyl-3-nitroaniline16293-12-252 % similar HC Red 1394158-13-152 % similar 5-Chloro-2-nitroaniline1635-61-651 % similar 5-Methyl-2-nitroaniline578-46-151 % similar 5-Methoxy-2-nitrobenzenamine16133-49-650 % similar 4-Nitro-m-phenylenediamine5131-58-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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