3-N-Boc-3-(methylamino)piperidine - CAS 172478-01-2
Catalog: |
BB012826 |
Product Name: |
3-N-Boc-3-(methylamino)piperidine |
CAS: |
172478-01-2 |
Synonyms: |
N-methyl-N-(3-piperidinyl)carbamic acid tert-butyl ester; tert-butyl N-methyl-N-piperidin-3-ylcarbamate |
IUPAC Name: | tert-butyl N-methyl-N-piperidin-3-ylcarbamate |
Description: | 3-N-Boc-3-(methylamino)piperidine (CAS# 172478-01-2) is a useful research chemical. |
Molecular Weight: | 214.30 |
Molecular Formula: | C11H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)C1CCCNC1 |
InChI: | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-7-12-8-9/h9,12H,5-8H2,1-4H3 |
InChI Key: | RTXNDTNDOHQMTI-UHFFFAOYSA-N |
Boiling Point: | 287.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.01 g/cm3 |
MDL: | MFCD06656642 |
LogP: | 1.93410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-11021481-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists | 20190913 |
WO-2020132653-A1 | Heteroaryl amides useful as kif18a inhibitors | 20181220 |
WO-2019238629-A1 | Pyridinyl heterocyclyl compounds for the treatment of autoimmune disease | 20180613 |
Complexity: | 223 |
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: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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