5-[Benzyl(methyl)amino]-2-pentanone - CAS 92196-15-1
Catalog: |
BB040453 |
Product Name: |
5-[Benzyl(methyl)amino]-2-pentanone |
CAS: |
92196-15-1 |
Synonyms: |
5-[methyl-(phenylmethyl)amino]-2-pentanone; 5-[benzyl(methyl)amino]pentan-2-one |
IUPAC Name: | 5-[benzyl(methyl)amino]pentan-2-one |
Description: | 5-[Benzyl(methyl)amino]-2-pentanone (CAS# 92196-15-1 ) is a useful research chemical. |
Molecular Weight: | 205.30 |
Molecular Formula: | C13H19NO |
Canonical SMILES: | CC(=O)CCCN(C)CC1=CC=CC=C1 |
InChI: | InChI=1S/C13H19NO/c1-12(15)7-6-10-14(2)11-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3 |
InChI Key: | VSHJMQMWJAGZPP-UHFFFAOYSA-N |
LogP: | 2.48760 |
Publication Number | Title | Priority Date |
CA-2268164-A1 | New serotonin 5-ht1f agonists | 19961008 |
EP-0835869-A2 | New serotonin 5-HT1F agonists | 19961008 |
EP-0835869-A3 | New serotonin 5-HT1F agonists | 19961008 |
US-5792763-A | Serotonin 5-HT1F agonists | 19961008 |
WO-9815545-A1 | New serotonin 5-ht1f agonists | 19961008 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.14666423 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.14666423 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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