1-Azatricyclo[3.3.1.1,3,7]decan-4-one - CAS 42949-24-6
Catalog: |
BB025285 |
Product Name: |
1-Azatricyclo[3.3.1.1,3,7]decan-4-one |
CAS: |
42949-24-6 |
Synonyms: |
1-azatricyclo[3.3.1.1^{3,7}]decan-4-one; 1-azatricyclo[3.3.1.1^{3,7}]decan-4-one |
IUPAC Name: | 1-azatricyclo[3.3.1.13,7]decan-4-one |
Description: | 1-Azatricyclo[3.3.1.1,3,7]decan-4-one (CAS# 42949-24-6) is a useful research chemical. |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | C1C2CC3CN(C2)CC1C3=O |
InChI: | InChI=1S/C9H13NO/c11-9-7-1-6-2-8(9)5-10(3-6)4-7/h6-8H,1-5H2 |
InChI Key: | XGZKYPXTXBKQTM-UHFFFAOYSA-N |
Boiling Point: | 265 °C |
Density: | 1.19 g/cm3 |
LogP: | 0.46500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015066371-A1 | SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS | 20131031 |
TW-201522340-A | Azaadamantane formate ester and process for preparing azaadamantane derivatives | 20130312 |
US-2014275546-A1 | Azaadamantane formate ester and process for preparing azaadamantane derivatives | 20130312 |
US-2015166541-A1 | Azaadamantane formate ester and process for preparing azaadamantane derivatives | 20130312 |
US-8969562-B2 | Azaadamantane formate ester and process for preparing azaadamantane derivatives | 20130312 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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