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16-Aminohexadecanoic acid

CAT: 0804-HY-23629-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-23629-01Size:25 mg
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Description
16-Aminohexadecanoic acid is an alkane chain with terminal carboxlic acid and amine groups. 16-Aminohexadecanoic acid can be used as a PROTAC linker in the synthesis of PROTACs. The amino group (NH2) is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The terminal carboxylic acid can react with primary amine groups of activated NHS ester to form a stable amide bond.
CAS Number
17437-22-8
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
98.0
Smiles
O=C(O)CCCCCCCCCCCCCCCN
Molecular Formula
C16H33NO2
Molecular Weight
271.44
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

16-Aminohexadecanoic acid
CAS Number17437-22-8
PubChem CID15689573
IUPAC Name16-aminohexadecanoic acid
Molecular FormulaC16H33NO2
Molecular Weight271.44
XLogP1.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity195
SMILES
C(CCCCCCCC(=O)O)CCCCCCCN
InChI
InChI=1S/C16H33NO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15,17H2,(H,18,19)
InChIKey
QJGFZBNNVXTCLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-Aminohexadecanoic acid
CAS: 17437-22-8
CID: 15689573
Formula: C16H33NO2
MW: 271.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.44
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass271.251129295
Monoisotopic Mass271.251129295
Topological Polar Surface Area63.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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