1-Boc-4-(cyanomethyl)piperidine - CAS 256411-39-9
Catalog: |
BB018985 |
Product Name: |
1-Boc-4-(cyanomethyl)piperidine |
CAS: |
256411-39-9 |
Synonyms: |
4-(cyanomethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate |
Description: | 1-Boc-4-(cyanomethyl)piperidine (CAS# 256411-39-9) is a useful research chemical. |
Molecular Weight: | 224.30 |
Molecular Formula: | C12H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)CC#N |
InChI: | InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-6,8-9H2,1-3H3 |
InChI Key: | LARQASBBVGBMDA-UHFFFAOYSA-N |
Boiling Point: | 344.274 ℃ at 760 mmHg |
Density: | 1.04 g/cm3 |
LogP: | 2.48508 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110483514-A | The ring hydrazine derivate and its application that a kind of cyano replaces | 20190916 |
WO-2021051899-A1 | Cyano-substituted cyclic hydrazine derivative and application thereof | 20190916 |
WO-2020237079-A1 | Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them | 20190523 |
US-2020299258-A1 | Quinoline and quinazoline compounds and methods of use thereof | 20190319 |
WO-2020190912-A1 | Quinoline and quinazoline compounds and methods of use thereof | 20190319 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.152477885 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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