3-Oxa-9-azabicyclo[3.3.1]nonan-7-one Hydrochloride - CAS 1126795-00-3
Catalog: |
BB003022 |
Product Name: |
3-Oxa-9-azabicyclo[3.3.1]nonan-7-one Hydrochloride |
CAS: |
1126795-00-3 |
Synonyms: |
3-oxa-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride; 3-oxa-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride |
IUPAC Name: | 3-oxa-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride |
Description: | 3-Oxa-9-azabicyclo[3.3.1]nonan-7-one Hydrochloride (CAS# 1126795-00-3) is a useful research chemical. |
Molecular Weight: | 177.63 |
Molecular Formula: | C7H12ClNO2 |
Canonical SMILES: | C1C2COCC(N2)CC1=O.Cl |
InChI: | InChI=1S/C7H11NO2.ClH/c9-7-1-5-3-10-4-6(2-7)8-5;/h5-6,8H,1-4H2;1H |
InChI Key: | WEAFOEKQEGQXCG-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 0.83710 |
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-2020153431-A1 | Ester compound | 20190124 |
WO-2020153432-A1 | Amino acid compound | 20190124 |
WO-2020153433-A1 | Substituent-including urea compound | 20190124 |
TW-202043239-A | Urea compounds with substituents | 20190124 |
CN-113382767-A | Substituted urea compounds | 20190124 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0556563 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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