1,9-Diazaspiro[5.5]undecan-2-one Hydrochloride - CAS 1171417-47-2
Catalog: |
BB003857 |
Product Name: |
1,9-Diazaspiro[5.5]undecan-2-one Hydrochloride |
CAS: |
1171417-47-2 |
Synonyms: |
1,9-diazaspiro[5.5]undecan-2-one;hydrochloride; 1,9-diazaspiro[5.5]undecan-2-one;hydrochloride |
IUPAC Name: | 1,9-diazaspiro[5.5]undecan-2-one;hydrochloride |
Description: | 1,9-Diazaspiro[5.5]undecan-2-one Hydrochloride (CAS# 1171417-47-2) is a useful research chemical. |
Molecular Weight: | 204.70 |
Molecular Formula: | C9H17ClN2O |
Canonical SMILES: | C1CC(=O)NC2(C1)CCNCC2.Cl |
InChI: | InChI=1S/C9H16N2O.ClH/c12-8-2-1-3-9(11-8)4-6-10-7-5-9;/h10H,1-7H2,(H,11,12);1H |
InChI Key: | IZCHOSJMQQZACI-UHFFFAOYSA-N |
MDL: | MFCD09998743 |
LogP: | 1.86830 |
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 |
CN-111793077-A | PD-1/PD-L1 small-molecule inhibitor and application thereof in medicines | 20190401 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.1029409 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.1029409 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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