1-Azaspiro[3.5]Nonane - CAS 13374-55-5
Catalog: |
BB061516 |
Product Name: |
1-Azaspiro[3.5]Nonane |
CAS: |
13374-55-5 |
Synonyms: |
1-AZASPIRO[3.5]NONANE; 1-Aza-spiro[3.5]nonane |
IUPAC Name: | 1-azaspiro[3.5]nonane |
Description: | 1-Azaspiro[3.5]nonane Hydrochloride is a salt analog of 1-Azaspiro[3.5]nonane (CAS# 13374-55-5), which may be useful in the preparation of spirodiamine-phthalazine derivatives as PARP inhibitiors. |
Molecular Weight: | 161.67 |
Molecular Formula: | C8H15N·HCl |
Canonical SMILES: | C1CCC2(CC1)CCN2 |
InChI: | InChI=1S/C8H15N/c1-2-4-8(5-3-1)6-7-9-8/h9H,1-7H2 |
InChI Key: | XSVCZOLYJIKPPH-UHFFFAOYSA-N |
References: | Reilly, S. W., et al. J. Med. Chem., 61, 5367 (2018). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.120449483 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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