1-(2,4-Dinitrophenyl)-3-methyl-piperazine hydrochloride - CAS 1890937-94-6
Catalog: |
BB067248 |
Product Name: |
1-(2,4-Dinitrophenyl)-3-methyl-piperazine hydrochloride |
CAS: |
1890937-94-6 |
Synonyms: |
1-(2,4-dinitrophenyl)-3-methylpiperazine hydrochloride; 1-(2,4-dinitrophenyl)-3-methylpiperazine; hydrochloride; 1-(2,4-Dinitrophenyl)-3-methyl-piperazine HCl; 1-(2,4-DINITROPHENYL)-3-METHYL-PIPERAZINE HYDROCHLORIDE |
IUPAC Name: | 1-(2,4-dinitrophenyl)-3-methylpiperazinehydrochloride |
Description: | 1-(2,4-Dinitrophenyl)-3-methyl-piperazine hcl |
Molecular Weight: | 302.71 |
Molecular Formula: | C11H15ClN4O4 |
Canonical SMILES: | CC1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].Cl |
InChI: | InChI=1S/C11H14N4O4.ClH/c1-8-7-13(5-4-12-8)10-3-2-9(14(16)17)6-11(10)15(18)19/h2-3,6,8,12H,4-5,7H2,1H31H |
InChI Key: | FUIIFGMVUCWNJH-UHFFFAOYSA-N |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.0781827 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.0781827 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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