1-Boc-4-(aminomethyl)piperidine - CAS 144222-22-0
Catalog: |
BB009740 |
Product Name: |
1-Boc-4-(aminomethyl)piperidine |
CAS: |
144222-22-0 |
Synonyms: |
Boc-4-(aminomethyl)piperidine; Piperidin-4-ylmethyl-carbamic acid tert-butyl ester; 1-Boc-4-(aminomethyl)piperidine; tert-butyl 4-(aminomethyl)piperidine-1-carboxylate; 4-(Aminomethyl)-1-N-Boc-piperidine; 4-Aminomethyl-1-Boc-piperidine; 1-n-boc-4-(aminomethyl)piperidine; 4-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester; 1-Piperidinecarboxylic acid, 4-(aminomethyl)-, 1,1-dimethylethyl ester |
IUPAC Name: | tert-butyl 4-(aminomethyl)piperidine-1-carboxylate |
Description: | 1-Boc-4-(aminomethyl)piperidine is a protected 4-substituted piperidinecarboxylate used in the preparation of orally active platelet-activating factor antagonists as well as other biologically active compounds. |
Molecular Weight: | 214.28 |
Molecular Formula: | C11H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)CN |
InChI: | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8,12H2,1-3H3 |
InChI Key: | KLKBCNDBOVRQIJ-UHFFFAOYSA-N |
Boiling Point: | 237.0-238.0 °C |
Purity: | ≥ 98 % (HPLC) |
Density: | 1.013 g/mL at 25 °C |
Appearance: | White to yellow low melting solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD01076207 |
LogP: | 2.23040 |
GHS Hazard Statement: | H315 (97.92%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113511998-A | Synthesis method of 1-Boc-4-aminomethyl piperidine | 20210819 |
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CN-111675661-A | Diaryl pyrimidine HIV-1 reverse transcriptase inhibitor containing trans double bond and preparation method and application thereof | 20200628 |
CN-111675661-B | Diaryl pyrimidine HIV-1 reverse transcriptase inhibitor containing trans double bond and preparation method and application thereof | 20200628 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.168127949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Amines and Anilines
Piperidines
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