| CAS Number | 1254058-34-8 |
| Catalog Number | AG000NNR(AGN-PC-0WANKF) |
| Chemical Name | Benzenamine, 3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]- |
| IUPAC Name | 3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline |
| InChI | InChI=1S/C17H28N4O/c1-19-9-11-20(12-10-19)15-5-7-21(8-6-15)16-4-3-14(18)13-17(16)22-2/h3-4,13,15H,5-12,18H2,1-2H3 |
| InChI Key | JHPDGTZPYTWLTG-UHFFFAOYSA-N |
| MDL Number | MFCD28129029 |
| Molecular Formula | C17H28N4O |
| Molecular Weight | 304.4304 |
| SMILES | NC1=CC=C(N2CCC(N3CCN(C)CC3)CC2)C(OC)=C1 |
| Synonyms | 1254058-34-8,
3-Methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)aniline,
3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline,
AK167818,
SCHEMBL10036431,
KS-00000SXB,
JHPDGTZPYTWLTG-UHFFFAOYSA-N,
3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]Benzenamine,
MFCD28129029,
AKOS025287459,
ZINC204000536,
DS-9578,
CS-0015773,
FT-0713780,
3-Methoxy-4-[4-(4-methyl-1-piperazinyl)piperidino]aniline,
Benzenamine, 3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.438g/mol |
| Monoisotopic Mass | 304.226g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number