N,N-Dicyclohexylmethylamine - CAS 7560-83-0
Catalog: |
BB035355 |
Product Name: |
N,N-Dicyclohexylmethylamine |
CAS: |
7560-83-0 |
Synonyms: |
N-cyclohexyl-N-methylcyclohexanamine |
IUPAC Name: | N-cyclohexyl-N-methylcyclohexanamine |
Description: | N,N-Dicyclohexylmethylamine (CAS# 7560-83-0) is used as a reagent in the base preparation of 13C2- and 2H phenethylamines as internal standards for IDMS by Pd-catalyzed double carbonylation of aryl iodides in the presence of amine nucleophiles followed by deoxygenation. |
Molecular Weight: | 195.34 |
Molecular Formula: | C13H25N |
Canonical SMILES: | CN(C1CCCCC1)C2CCCCC2 |
InChI: | InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3 |
InChI Key: | GSCCALZHGUWNJW-UHFFFAOYSA-N |
Boiling Point: | 265 ℃ |
Density: | 0.912 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00014289 |
LogP: | 3.58360 |
Vapor Pressure: | 0.01 [mmHg] |
GHS Hazard Statement: | H301 (40.28%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21203166 | 20080709 | 1,3-Dicyclo-hexyl-1-isonicotinoylurea monohydrate | Acta crystallographica. Section E, Structure reports online |
15903312 | 20050527 | Mono- and beta,beta-double-Heck reactions of alpha,beta-unsaturated carbonyl compounds in aqueous media | The Journal of organic chemistry |
15479044 | 20041020 | Elucidating reactivity differences in palladium-catalyzed coupling processes: the chemistry of palladium hydrides | Journal of the American Chemical Society |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.198699802 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.198699802 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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