2-{1-[4-(Hydroxymethyl)phenylamino]-3-methylbutylidene}-5,5-dimethyl-1,3-cyclohexanedione - CAS 172611-73-3
Catalog: |
BB012837 |
Product Name: |
2-{1-[4-(Hydroxymethyl)phenylamino]-3-methylbutylidene}-5,5-dimethyl-1,3-cyclohexanedione |
CAS: |
172611-73-3 |
Synonyms: |
3-hydroxy-2-[N-[4-(hydroxymethyl)phenyl]-C-(2-methylpropyl)carbonimidoyl]-5,5-dimethylcyclohex-2-en-1-one |
IUPAC Name: | 3-hydroxy-2-[N-[4-(hydroxymethyl)phenyl]-C-(2-methylpropyl)carbonimidoyl]-5,5-dimethylcyclohex-2-en-1-one |
Description: | 2-{1-[4-(Hydroxymethyl)phenylamino]-3-methylbutylidene}-5,5-dimethyl-1,3-cyclohexanedione (CAS# 172611-73-3) is a useful research chemical. |
Molecular Weight: | 329.43 |
Molecular Formula: | C20H27NO3 |
Canonical SMILES: | CC(C)CC(=NC1=CC=C(C=C1)CO)C2=C(CC(CC2=O)(C)C)O |
InChI: | InChI=1S/C20H27NO3/c1-13(2)9-16(21-15-7-5-14(12-22)6-8-15)19-17(23)10-20(3,4)11-18(19)24/h5-8,13,22-23H,9-12H2,1-4H3 |
InChI Key: | UKAQNIKHOWTQFY-UHFFFAOYSA-N |
Boiling Point: | 482.9 ℃ at 760 mmHg |
Density: | 1.132 g/cm3 |
Appearance: | Solid |
LogP: | 3.92220 |
Publication Number | Title | Priority Date |
CN-113292508-A | Synthetic method of cyclic dipeptide containing asparagine and glutamine | 20210607 |
CN-113072506-A | Synthetic method of cyclic dipeptide containing aspartic acid and glutamic acid | 20210429 |
CN-107586265-A | A kind of acid compounds of diaminourea two, its preparation method and its application of the orthogonal protection of environment-friendly type | 20170627 |
CN-107586265-B | Environment-friendly orthogonal protection diamino diacid compound, preparation method and application thereof | 20170627 |
US-2014205668-A1 | Surface modified proteinaceous spherical particles and uses thereof | 20110811 |
Complexity: | 523 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.19909372 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.19909372 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 69.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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