1-(3,4-Dimethylbenzyl)piperazin-2-one - CAS 938458-92-5
Catalog: |
BB041102 |
Product Name: |
1-(3,4-Dimethylbenzyl)piperazin-2-one |
CAS: |
938458-92-5 |
Synonyms: |
1-[(3,4-dimethylphenyl)methyl]piperazin-2-one |
IUPAC Name: | 1-[(3,4-dimethylphenyl)methyl]piperazin-2-one |
Description: | 1-(3,4-Dimethylbenzyl)piperazin-2-one (CAS# 938458-92-5) is a useful research chemical. |
Molecular Weight: | 218.29 |
Molecular Formula: | C13H18N2O |
Canonical SMILES: | CC1=C(C=C(C=C1)CN2CCNCC2=O)C |
InChI: | InChI=1S/C13H18N2O/c1-10-3-4-12(7-11(10)2)9-15-6-5-14-8-13(15)16/h3-4,7,14H,5-6,8-9H2,1-2H3 |
InChI Key: | JDQLCQPPLOATHR-UHFFFAOYSA-N |
Boiling Point: | 409.5 °C at 760 mmHg |
Density: | 1.086 g/cm3 |
MDL: | MFCD09055234 |
LogP: | 1.50190 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.141913202 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.141913202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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