1-Benzyl-4-piperidinone Oxime - CAS 949-69-9
Catalog: |
BB041591 |
Product Name: |
1-Benzyl-4-piperidinone Oxime |
CAS: |
949-69-9 |
Synonyms: |
1-(phenylmethyl)-4-piperidinone oxime; N-(1-benzylpiperidin-4-ylidene)hydroxylamine |
IUPAC Name: | N-(1-benzylpiperidin-4-ylidene)hydroxylamine |
Description: | 1-Benzyl-4-piperidinone Oxime (CAS# 949-69-9) is a useful research chemical. |
Molecular Weight: | 204.27 |
Molecular Formula: | C12H16N2O |
Canonical SMILES: | C1CN(CCC1=NO)CC2=CC=CC=C2 |
InChI: | InChI=1S/C12H16N2O/c15-13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2 |
InChI Key: | VIMRHNNRKUWOIZ-UHFFFAOYSA-N |
Boiling Point: | 338.5 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00277794 |
LogP: | 2.05050 |
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 |
EP-3390413-A1 | Antiviral oxime phosphoramide compounds | 20151215 |
US-10450335-B2 | Antiviral oxime phosphoramide compounds | 20151215 |
US-2018362563-A1 | Antiviral oxime phosphoramide compounds | 20151215 |
WO-2017106069-A1 | Antiviral oxime phosphoramide compounds | 20151215 |
EP-3390413-B1 | Antiviral oxime phosphoramide compounds | 20151215 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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