1-Methyl-4-(piperidin-4-yl)-piperazine - CAS 53617-36-0
Catalog: |
BB028291 |
Product Name: |
1-Methyl-4-(piperidin-4-yl)-piperazine |
CAS: |
53617-36-0 |
Synonyms: |
1-methyl-4-(4-piperidinyl)piperazine; Piperazine, 1-methyl-4-(4-piperidinyl)-; 1-(Piperidin-4-yl)-4-methylpiperazine; 4-(4-Methylpiperazin-1-yl)piperidine; 4-(1-methyl-4-piperazinyl)piperidine; 4-(1-methylpiperazin-4-yl)piperidine; 4-(4-methyl-1-piperazinyl)piperidine |
Related CAS: | 1831151-58-6 (Deleted CAS) 99726-99-5 (acetate salt) 436099-90-0 (hydrochloride)
|
IUPAC Name: | 1-methyl-4-piperidin-4-ylpiperazine |
Molecular Weight: | 183.29 |
Molecular Formula: | C10H21N3 |
Canonical SMILES: | CN1CCN(CC1)C2CCNCC2 |
InChI: | InChI=1S/C10H21N3/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10/h10-11H,2-9H2,1H3 |
InChI Key: | MRYYJGQKVGZGSB-UHFFFAOYSA-N |
Boiling Point: | 260.9±8.0°C at 760 mmHg |
Melting Point: | 53-56°C |
Purity: | ≥95% |
Density: | 0.992±0.06 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Pale Yellow Solid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD03274729 |
LogP: | 0.19040 |
GHS Hazard Statement: | H314 (18%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.173547683 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.173547683 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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