Mk-1496
Basic information
- CAS
1037254-47-9- Standard SMILES
C[C@H](N)c1ccc([C@H](O)CNC(C)(C)C)cc1- InChIKey
KUHBBYPXWKYKKR-GXFFZTMASA-N- Molecular formula
- C14H24N2O
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.18886339
Overview
MK-1496 has been used in trials studying the treatment of Neoplasms and Malignant.
Names & identifiers
- Preferred name
- Mk-1496
- IUPAC
- (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
- English name
- MK-1496
- Molecular formula
- C14H24N2O
- Molecular weight
- 236.35316
Names & synonyms
MK-14961037254-47-9CS17H9370CUNII-CS17H9370C(1S)-1-(4-((1S)-1-Aminoethyl)phenyl)-2-(tert-butylamino)ethanolBenzenemethanol, 4-((1S)-1-aminoethyl)-alpha-(((1,1-dimethylethyl)amino)methyl)-, (alphaS)-(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanolBENZENEMETHANOL, 4-((1S)-1-AMINOETHYL)-.ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-, (.ALPHA.S)-(1S)-1-{4-[(1S)-1-aminoethyl]phenyl}-2-(tert-butylamino)ethanol(1S)-1-(4-((1S)-1-aminoethyl)phenyl)-2-(tert-butylamino)ethan-1-ol(1S)-1-{4-[(1S)-1-aminoethyl]phenyl}-2-(tert-butylamino)ethan-1-olRefChem:159186
Show more names
EOS-61818(S)-1-(4-((S)-1-aMinoethyl)phenyl)-2-(tert-butylaMino)ethanol(1S)-1-[4-((1S)-1-Aminoethyl)phenyl]-2-(tert-butylamino)ethanol(S)-1-(4-((S)-1-aminoethyl)phenyl)-2-(tert-butylamino)ethan-1-olBenzenemethanol, 4-[(1S)-1-aminoethyl]-α-[[(1,1-dimethylethyl)amino]methyl]-, (αS)-
orb1737924SCHEMBL2197153CHEMBL5314387KUHBBYPXWKYKKR-GXFFZTMASA-NDB12763NS00073393Q27275727
Database identifiers
- CAS
1037254-47-9- PubChem CID
- 67313626
- ChEMBL
CHEMBL5314387- UNII
- CS17H9370C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 352.2 · 352.2±21.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.20(Predicted)
- FDA UNII
- 17 H9370C · CS17H9370C
Related reactions
1 records
Compound notes
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