trans-4-Aminocyclohexanol - CAS 27489-62-9
Catalog: |
BB019586 |
Product Name: |
trans-4-Aminocyclohexanol |
CAS: |
27489-62-9 |
Synonyms: |
Cyclohexanol, 4-amino-, trans-; 4-trans-Aminocyclohexanol; 4-trans-Hydroxycyclohexylamine; trans-1,4-Cyclohexanolamine; trans-1-Amino-4-cyclohexanol; trans-1-Amino-4-hydroxycyclohexane; trans-4-Amino-1-cyclohexanol; trans-4-Aminocyclohexaneol; trans-4-Hydroxycyclohexylamine |
Related CAS: | 40525-78-8 (cis-4-Aminocyclohexanol) 6850-65-3 (4-Aminocyclohexanol)
|
IUPAC Name: | (1r,4r)-4-aminocyclohexan-1-ol |
Description: | trans-4-Aminocyclohexanol, used in the preparation of potential hypertensive agents and other biologically active compounds. |
Molecular Weight: | 115.17 |
Molecular Formula: | C6H13NO |
Canonical SMILES: | OC1CCC(N)CC1 |
InChI: | InChI=1/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6- |
InChI Key: | IMLXLGZJLAOKJN-IZLXSQMJNA-N |
Boiling Point: | 201.1±33.0°C at 760 mmHg |
Melting Point: | 108-113°C |
Purity: | 97% |
Density: | 1.037±0.06 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00067698 |
LogP: | 0.94890 |
GHS Hazard Statement: | H314 (27.63%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P391, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22251094 | 20120201 | Novel dihydroquinoline-based MABAs; clues to the identity of LAS-190792: evaluation of WO20111411802 | Expert opinion on therapeutic patents |
22148236 | 20120120 | 4',5'-Dichloro-2',7'-dimethoxy-5(6)-carboxyfluorescein (JOE): synthesis and spectral properties of oligonucleotide conjugates | The Journal of organic chemistry |
20481485 | 20100624 | Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules | Journal of medicinal chemistry |
19719087 | 20091005 | From 0D dimer to 2D network-supramolecular assembly of organic derivatized polyoxometalates with remote hydroxyl via hydrogen bonding | Inorganic chemistry |
19630382 | 20090820 | Domino synthesis of bridged bicyclic tetrahydro-1,2-oxazines: access to stereodefined 4-aminocyclohexanols | Organic letters |
Complexity: | 66.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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