N-(1,5-Dimethyl-4-hexen-1-yl)-N-methylformamide - CAS 859444-64-7
Catalog: |
BB066749 |
Product Name: |
N-(1,5-Dimethyl-4-hexen-1-yl)-N-methylformamide |
CAS: |
859444-64-7 |
Synonyms: |
N-1,5-Dimethyl-4-hexenyl-N-methylformamide |
IUPAC Name: | N-methyl-N-(6-methylhept-5-en-2-yl)formamide |
Description: | N-(1,5-Dimethyl-4-hexen-1-yl)-N-methylformamide is derived from 6-Methyl-hepten-2-one (M311900), which is used in the synthesis of thyrsiferyl 23-Acetate which acts as an anti-leukemic inducer of apoptosis. |
Molecular Weight: | 168.28 |
Molecular Formula: | C11H20O |
Canonical SMILES: | CC(CCC=C(C)C)N(C)C=O |
InChI: | InChI=1S/C10H19NO/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,5,7H2,1-4H3 |
InChI Key: | OFWRLZFOVBVFTP-UHFFFAOYSA-N |
References: | Gonzalez, I. et al. J. Am. Chem. Soc., 122, 9099 (2000). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.14666423 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.14666423 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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