4-Oxopiperidine-3-carbonitrile Hydrochloride - CAS 1373253-28-1
Catalog: |
BB008546 |
Product Name: |
4-Oxopiperidine-3-carbonitrile Hydrochloride |
CAS: |
1373253-28-1 |
Synonyms: |
4-oxo-3-piperidinecarbonitrile;hydrochloride; 4-oxopiperidine-3-carbonitrile;hydrochloride |
IUPAC Name: | 4-oxopiperidine-3-carbonitrile;hydrochloride |
Description: | 4-Oxopiperidine-3-carbonitrile Hydrochloride (CAS# 1373253-28-1) is a useful research chemical. |
Molecular Weight: | 160.60 |
Molecular Formula: | C6H9ClN2O |
Canonical SMILES: | C1CNCC(C1=O)C#N.Cl |
InChI: | InChI=1S/C6H8N2O.ClH/c7-3-5-4-8-2-1-6(5)9;/h5,8H,1-2,4H2;1H |
InChI Key: | FVYQXGXHUIVIRE-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD16251150 |
LogP: | 0.81938 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248491-A | Substituted indole urea derivatives, synthesis method and application thereof | 20200211 |
PT-85157-B | Process for the preparation of compounds of hydrogenated 1-benzoxy-cycloalquil-pyridine-carboxylic acid compounds | 19860626 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0403406 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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