(1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate - CAS 134003-84-2
Catalog: |
BB007853 |
Product Name: |
(1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
CAS: |
134003-84-2 |
Synonyms: |
tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
IUPAC Name: | tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
Description: | (1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (CAS# 134003-84-2) is a useful reagent employed in the preparation of tetrahydroisoquinolines as CXCR4 antagonists. |
Molecular Weight: | 198.26 |
Molecular Formula: | C10H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CC1CN2 |
InChI: | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m1/s1 |
InChI Key: | UXAWXZDXVOYLII-HTQZYQBOSA-N |
Purity: | 95 % |
LogP: | 1.23430 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021154668-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | 20200127 |
WO-2021127561-A1 | Isoindolinone and indazole compounds for the degradation of egfr | 20191220 |
WO-2021116178-A1 | Pyrazolotriazines | 20191211 |
WO-2021105474-A1 | New compounds for treatment of diseases related to dux4 expression | 20191129 |
WO-2021105481-A1 | Novel compounds for treatment of diseases related to dux4 expression | 20191129 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.136827821 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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