| CAS Number | 211247-60-8 |
| Catalog Number | AG002L8W(AGN-PC-0WD3ZJ) |
| Chemical Name | N,N-diMethyl-1-(4-nitrophenyl)-4-PiperidinaMine |
| IUPAC Name | N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine |
| InChI | InChI=1S/C13H19N3O2/c1-14(2)11-7-9-15(10-8-11)12-3-5-13(6-4-12)16(17)18/h3-6,11H,7-10H2,1-2H3 |
| InChI Key | OCTNQAZYWLBDEB-UHFFFAOYSA-N |
| MDL Number | MFCD11039486 |
| Molecular Formula | C13H19N3O2 |
| Molecular Weight | 249.3089 |
| SMILES | CN(C)C1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine,
211247-60-8,
N,N-DIMETHYL-1-(4-NITROPHENYL)-4-PIPERIDINAMINE,
SCHEMBL3440216,
DTXSID10454732,
OCTNQAZYWLBDEB-UHFFFAOYSA-N,
MFCD11039486,
ZINC38222225,
AJ-94706,
AS-42124,
DA-43279,
CS-0012675,
FT-0727514,
4-Piperidinamine, N,N-dimethyl-1-(4-nitrophenyl)-,
Dimethyl-[1-(4-nitro-phenyl)-piperidin-4-yl]-amine,
CID11086151,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.314g/mol |
| Monoisotopic Mass | 249.148g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number