CAS 23491-48-7 | 5-(4-Methylpiperazin-1-yl)-2-nitroaniline | CAS Number 23491-48-7

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23491-48-7 | 5-(4-Methylpiperazin-1-yl)-2-nitroaniline

CAS No: 23491-48-7 Catalog No: AG002NEN MDL No:MFCD00545964

Product Description

Catalog Number:

AG002NEN

Chemical Name:

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

CAS Number:

23491-48-7

Molecular Formula:

C11H16N4O2

Molecular Weight:

236.2703

MDL Number:

MFCD00545964

IUPAC Name:

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

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

SMILES:

CN1CCN(CC1)c1ccc(c(c1)N)[N+](=O)[O-]

Properties

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.275g/mol

Monoisotopic Mass:

236.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
5-(4-Methyl-piperazin-1-yl)-2-nitro-aniline.	Acta crystallographica. Section E, Structure reports online 20100601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501