1-Adamantanecarbonitrile - CAS 23074-42-2
Catalog: |
BB017909 |
Product Name: |
1-Adamantanecarbonitrile |
CAS: |
23074-42-2 |
Synonyms: |
adamantane-1-carbonitrile |
IUPAC Name: | adamantane-1-carbonitrile |
Description: | 1-Adamantanecarbonitrile (CAS# 23074-42-2) is a useful research intermediate used in the preparation of N-[(adamantan-1-yl)methyl]aniline derivatives which are conformationally labile analogs of synthetic adaptogen. |
Molecular Weight: | 161.24 |
Molecular Formula: | C11H15N |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)C#N |
InChI: | InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2 |
InChI Key: | FQFZASRJFRAEIH-UHFFFAOYSA-N |
Boiling Point: | 274.5 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00074731 |
LogP: | 2.72638 |
GHS Hazard Statement: | H302 (95.45%): 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, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961079-A | Method for dehydrating primary amide into nitriles by cobalt catalysis | 20210304 |
CN-112661709-A | Nitrogen-containing organic compound, and electronic element and electronic device using same | 20201218 |
CN-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
WO-2021136463-A1 | Purine derivative and medical use thereof | 20191231 |
WO-2020210922-A1 | Derivatives of adamantyl oxadiazoles and pharmaceutically acceptable solvates, hydrates and salts thereof, pharmaceutical composition comprising same, synthesis method, suitable for use as effective and selective inhibitors of the reductase activity of the enzyme 11-beta dehydrogenase type 1 (11β-hsd1) | 20190417 |
PMID | Publication Date | Title | Journal |
20441297 | 20100428 | Alpha-relaxation dynamics of orientanionally disordered mixed crystals composed of Cl-adamantane and CN-adamantane | The Journal of chemical physics |
21583581 | 20090718 | Adamantane-1-thio-amide | Acta crystallographica. Section E, Structure reports online |
19352523 | 20090428 | Calcium carbene complexes with boranophosphorano side-arms: CaC[P(Ph)(2)BH(3)](2) | Dalton transactions (Cambridge, England : 2003) |
18989966 | 20081204 | Electronic and steric effects in binding of deep cavitands | Organic letters |
19044871 | 20080907 | Study of secondary relaxation in disordered plastic crystals of isocyanocyclohexane, cyanocyclohexane, and 1-cyanoadamantane | The Journal of chemical physics |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.120449483 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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