3-(Boc-amino)piperidine - CAS 172603-05-3
Catalog: |
BB012836 |
Product Name: |
3-(Boc-amino)piperidine |
CAS: |
172603-05-3 |
Synonyms: |
Carbamic acid, N-3-piperidinyl-, 1,1-dimethylethyl ester; Carbamic acid, 3-piperidinyl-, 1,1-dimethylethyl ester; 3-(N-Boc-amino)piperidine; 3-(tert-Butoxycarbonylamino)piperidine; Piperidin-3-ylcarbamic acid tert-butyl ester; Piperidine-3-ylcarbamic acid tert-butyl ester; tert-Butyl piperidin-3-ylcarbamate |
Related CAS: | 309956-78-3 (R-isomer) |
Description: | 3-(Boc-amino)piperidine is an impurity of Alogliptin, a dipeptidyl peptidase-4 (DPP-4) inhibitor in the class of oral antidiabetic drugs. |
Molecular Weight: | 200.28 |
Molecular Formula: | C10H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCCNC1 |
InChI: | InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13) |
InChI Key: | WUOQXNWMYLFAHT-UHFFFAOYSA-N |
Boiling Point: | 304.8±31.0°C at 760 mmHg |
Melting Point: | 106-110°C |
Purity: | ≥95% |
Density: | 1.02±0.1 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Off-white Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD03839941 |
LogP: | 1.98280 |
GHS Hazard Statement: | H315 (100%): 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-113336697-A | CDK9 inhibiting compound and application thereof | 20210604 |
CN-112851587-A | Alkyne heterocyclic compound for treating cancer and preparation method and application thereof | 20210121 |
CN-112225728-A | Multi-substituted benzamide compound and preparation method and application thereof | 20200818 |
CN-113024508-A | Nitrogen heterocyclic ring derivative and preparation method and application thereof | 20191225 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.152477885 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Related Functional Groups
Amines and Anilines
Piperidines
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