4-(Boc-aminomethyl)cyclohexanone - CAS 809273-70-9
Catalog: |
BB036582 |
Product Name: |
4-(Boc-aminomethyl)cyclohexanone |
CAS: |
809273-70-9 |
Synonyms: |
N-[(4-oxocyclohexyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate |
Description: | 4-(Boc-aminomethyl)cyclohexanone (CAS# 809273-70-9) is a useful research chemical. |
Molecular Weight: | 227.30 |
Molecular Formula: | C12H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1CCC(=O)CC1 |
InChI: | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-9-4-6-10(14)7-5-9/h9H,4-8H2,1-3H3,(H,13,15) |
InChI Key: | KYOXDOGUXCYNAW-UHFFFAOYSA-N |
Appearance: | White powder |
LogP: | 2.66130 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
WO-2020251971-A1 | Smarca degraders and uses thereof | 20190610 |
BR-112020022092-A2 | compounds, method for treating unregulated apoptotic diseases and pharmaceutical composition | 20180429 |
CN-112437772-A | Bcl-2 inhibitors | 20180429 |
KR-20210005677-A | Bcl-2 inhibitor | 20180429 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.15214353 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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