8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, (3-endo)- - CAS 3423-25-4
Catalog: |
BB022018 |
Product Name: |
8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, (3-endo)- |
CAS: |
3423-25-4 |
Synonyms: |
(3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol (ACI); 1αH,5αH-Nortropan-3α-ol, 8-isopropyl- (8CI); 8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, endo- (ZCI); Nortropine, 8-isopropyl- (7CI); 8-Isopropylnortropan-3α-ol; N -Isopropylnortropine |
Related CAS: | 259092-15-4 (8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-)
|
IUPAC Name: | 8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol |
Description: | (3-endo)-3-Hydroxy-8-isopropyl-8-azabicyclo[3.2.1]octane (CAS# 3423-25-4) is an intermediate for the synthesis of (S)-(1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-Hydroxy-2-phenylpropanoate (I824270), which is a compound that can be synthesized from Atropine (A794630), a nerve agent that occurs naturally in plants of the nightshade family. |
Molecular Weight: | 169.26 |
Molecular Formula: | C10H19NO |
Canonical SMILES: | OC1CC2N(C(C)C)C(CC2)C1 |
InChI: | InChI=1/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10+ |
InChI Key: | YYDQYSQZIUSKFN-MYJAWHEDNA-N |
Boiling Point: | 266.9±15.0 °C at 760 mmHg |
Density: | 1.037±0.06 g/cm3 |
LogP: | 1.32040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021078996-A1 | Hpk1 antagonists and uses thereof | 20190913 |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-11028085-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists | 20190913 |
US-11034694-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists | 20190913 |
WO-2021021979-A2 | Hdac6 inhibitors and uses thereof | 20190730 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.146664230 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.146664230 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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