5-[Bis(2-hydroxyethyl)amino]-2-pentanone - CAS 86271-48-9
Catalog: |
BB072827 |
Product Name: |
5-[Bis(2-hydroxyethyl)amino]-2-pentanone |
CAS: |
86271-48-9 |
Synonyms: |
5-[bis(2-hydroxyethyl)amino]pentan-2-one; 2-Pentanone,5-[bis(2-hydroxyethyl)amino]-; 5-(Bis(2-hydroxyethyl)amino)pentan-2-one |
IUPAC Name: | 5-[bis(2-hydroxyethyl)amino]pentan-2-one |
Molecular Weight: | 189.26 |
Molecular Formula: | C9H19NO3 |
Canonical SMILES: | CC(=O)CCCN(CCO)CCO |
InChI: | InChI=1S/C9H19NO3/c1-9(13)3-2-4-10(5-7-11)6-8-12/h11-12H,2-8H2,1H3 |
InChI Key: | DNNILJGFRIKXHA-UHFFFAOYSA-N |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.13649347 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 60.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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