Nortropinone Hydrochloride - CAS 25602-68-0
Catalog: |
BB018970 |
Product Name: |
Nortropinone Hydrochloride |
CAS: |
25602-68-0 |
Synonyms: |
8-azabicyclo[3.2.1]octan-3-one;hydrochloride; 8-azabicyclo[3.2.1]octan-3-one;hydrochloride |
IUPAC Name: | 8-azabicyclo[3.2.1]octan-3-one;hydrochloride |
Description: | A metabolite of Tropinone. |
Molecular Weight: | 161.63 |
Molecular Formula: | C7H12ClNO |
Canonical SMILES: | C1CC2CC(=O)CC1N2.Cl |
InChI: | InChI=1S/C7H11NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-6,8H,1-4H2;1H |
InChI Key: | MZQWQFWRSDNBPV-UHFFFAOYSA-N |
Boiling Point: | 258.8 °C at 760 mmHg |
MDL: | MFCD03613582 |
LogP: | 1.60070 |
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 |
WO-2020153432-A1 | Amino acid compound | 20190124 |
WO-2020153433-A1 | Substituent-including urea compound | 20190124 |
TW-202043239-A | Urea compounds with substituents | 20190124 |
TW-202043240-A | Amino acid compound | 20190124 |
CN-113382767-A | Substituted urea compounds | 20190124 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.0607417 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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