trans-N-Boc-1,3-cyclobutanediamine - CAS 871014-19-6
Catalog: |
BB038253 |
Product Name: |
trans-N-Boc-1,3-cyclobutanediamine |
CAS: |
871014-19-6 |
Synonyms: |
N-(3-aminocyclobutyl)carbamic acid tert-butyl ester; tert-butyl N-(3-aminocyclobutyl)carbamate |
IUPAC Name: | tert-butyl N-(3-aminocyclobutyl)carbamate |
Description: | trans-N-Boc-1,3-cyclobutanediamine (CAS# 871014-19-6) is a useful research chemical. |
Molecular Weight: | 186.25 |
Molecular Formula: | C9H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CC(C1)N |
InChI: | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5,10H2,1-3H3,(H,11,12) |
InChI Key: | OPDOEOOBYOABCJ-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD09040641 |
LogP: | 2.09200 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112574200-A | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
CN-112574200-B | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
CN-111253370-A | N-polysubstituted pyridine-2-aminopyrimidine derivatives and application thereof | 20200324 |
US-2021230146-A1 | Thyroid hormone receptor agonists and use thereof | 20200113 |
WO-2021143706-A1 | Substituted triazinones as thyroid hormone receptor agonists | 20200113 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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