| CAS Number | 74628-20-9 |
| Catalog Number | AG019F0P(AGN-PC-07PPO8) |
| Chemical Name | 3-(4-Methylpiperazin-1-yl)-2-nitroaniline |
| IUPAC Name | 3-(4-methylpiperazin-1-yl)-2-nitroaniline |
| InChI | InChI=1S/C11H16N4O2/c1-13-5-7-14(8-6-13)10-4-2-3-9(12)11(10)15(16)17/h2-4H,5-8,12H2,1H3 |
| InChI Key | XXUUIQMQPSMPJG-UHFFFAOYSA-N |
| MDL Number | MFCD25022761 |
| Molecular Formula | C11H16N4O2 |
| Molecular Weight | 236.2703 |
| SMILES | CN1CCN(CC1)c1cccc(N)c1[N+]([O-])=O |
| Synonyms | 3-(4-methylpiperazin-1-yl)-2-nitroaniline,
74628-20-9,
3-(4-methyl-1-piperazinyl)-2-nitroBenzenamine,
SCHEMBL1509487,
XXUUIQMQPSMPJG-UHFFFAOYSA-N,
AKOS019336004,
ZINC116394079,
AS-65166,
DA-25143,
3-(4-methyl-1-piperazinyl)-2-nitroaniline,
CS-0036839,
FT-0709773,
3-(4-Methyl-piperazin-1-yl)-2-nitro-phenylamine,
3-(4-methylpiperazin-1-yl)-2-nitroaniline(WXC06610),
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.127326g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.27g/mol |
| Monoisotopic Mass | 236.127326g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number