Basic information
- CAS
103955-90-4- Standard SMILES
CCCCCCCCCCN(C)c1cc(CO)cc(NC(C)=O)c1- InChIKey
YGFQCJGXLSFQPL-UHFFFAOYSA-N- Molecular formula
- C20H34N2O2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.26202833
Names & identifiers
- Preferred name
- 3-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol
- IUPAC
- N-[3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl]acetamide
- English name
- 3-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol
- Molecular formula
- C20H34N2O2
- Molecular weight
- 334.5
Names & synonyms
103955-90-43-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol3-AdmbDTXSID10146160ADMB cpdRefChem:92699DTXCID5068651admbN-[3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl]acetamiden-{3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl}acetamideN-(3-(Decyl(methyl)amino)-5-(hydroxymethyl)phenyl)acetamide(4R,8E)-4,5,6,7-Tetrahydro-11,13-dihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10(1H)-dione; (+)-(10E,15R)-10,11-Dehydrocurvularin; ent-Dehydrocurvularin;
Show more names
3-(N-ACETYLAMINO)-5-(N-DECYL-N-METHYLAMI NO)BENZYLAcetamide, N-[3-(decylmethylamino)-5-(hydroxymethyl)phenyl]-
SCHEMBL6713464SCHEMBL317157913-(n-acetylamino)-5-(n-decyl-n-methylamino)-benzyl alcoholAcetamide, N-(3-(decylmethylamino)-5-(hydroxymethyl)phenyl)-3-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol, analytical standard, for drug analysis
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 536.6 · 536.6±50.0 °C(Predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.47 · 14.47±0.10(Predicted)
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 1S/C20H34N2O2/c1-4-5-6-7-8-9-10-11-12-22(3)20-14-18(16-23)13-19(15-20)21-17(2)24/h13-15,23H,4-12,16H2,1-3H3,(H,21,24)
- InChIKey
- YGFQCJGXLSFQPL-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCN(C)c1cc(CO)cc(NC(C)=O)c1
- UNSPSC Code
- 41116107 · 41116107
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses3-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl Alcohol is a synthetic protein kinase C and protein kinase A activator.
Suppliers3 total
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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