tert-Butyl N-(4-Aminocyclohexyl)-N-methylcarbamate - CAS 566172-79-0
Catalog: |
BB070886 |
Product Name: |
tert-Butyl N-(4-Aminocyclohexyl)-N-methylcarbamate |
CAS: |
566172-79-0 |
Synonyms: |
1,1-Dimethylethyl N-(trans-4-aminocyclohexyl)-N-methylcarbamate |
IUPAC Name: | tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate |
Description: | tert-Butyl N-(4-Aminocyclohexyl)-N-methylcarbamate can be used as a small molecule inhibitor for BTK and /or BTK mutant C481S. |
Molecular Weight: | 228.33 |
Molecular Formula: | C12H24N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)C1CCC(CC1)N |
InChI: | InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)10-7-5-9(13)6-8-10/h9-10H,5-8,13H2,1-4H3 |
InChI Key: | IYBJCNYCFNJFKQ-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Yellow Oil |
Storage: | 4°C, Inert atmosphere |
References: | Xie, L., et.al. Faming Zhuanli Shenqing, 52, (2021). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.183778013 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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