N1-Boc-N1-methyl-1,4-cyclohexanediamine - CAS 364590-87-4
Catalog: |
BB022972 |
Product Name: |
N1-Boc-N1-methyl-1,4-cyclohexanediamine |
CAS: |
364590-87-4 |
Synonyms: |
N-(4-aminocyclohexyl)-N-methylcarbamic acid tert-butyl ester; tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate |
IUPAC Name: | tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate |
Description: | N1-Boc-N1-methyl-1,4-cyclohexanediamine (CAS# 364590-87-4 ) is a useful research chemical. |
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 |
LogP: | 2.82350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021228562-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127278-A1 | Irak degraders and uses thereof | 20191217 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
WO-2020113233-A1 | Irak degraders and uses thereof | 20181130 |
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: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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