5-(4-Methylpiperazino)-2-nitroaniline - CAS 23491-48-7
Catalog: |
BB018076 |
Product Name: |
5-(4-Methylpiperazino)-2-nitroaniline |
CAS: |
23491-48-7 |
Synonyms: |
5-(4-methyl-1-piperazinyl)-2-nitroaniline; 5-(4-methylpiperazin-1-yl)-2-nitroaniline |
IUPAC Name: | 5-(4-methylpiperazin-1-yl)-2-nitroaniline |
Description: | 5-(4-Methylpiperazino)-2-nitroaniline (CAS# 23491-48-7) is a useful research chemical. |
Molecular Weight: | 236.27 |
Molecular Formula: | C11H16N4O2 |
Canonical SMILES: | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])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 |
InChI Key: | MWLBMGPQZJDFKZ-UHFFFAOYSA-N |
Boiling Point: | 444.2 °C at 760 mmHg |
Density: | 1.264 g/cm3 |
MDL: | MFCD00545964 |
LogP: | 2.03610 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21579369 | 20100508 | 5-(4-Methyl-piperazin-1-yl)-2-nitro-aniline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.12732577 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.12732577 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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