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6-Acrylamidohexanoic Acid

CAT: 0572-TRC-A191323-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A191323-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20766-85-2
Synonyms
6-[(1-Oxo-2-propen-1-yl)amino]hexanoic Acid; 6-Acrylamidocaproic Acid; 6-Acryloylaminocaproic Acid; 6-Acryloylaminohexanoic Acid; N-Acryloyl-6-aminocaproic Acid; N-Acryloyl-6-aminohexanoic Acid; N-Acryloyl-ε-amino-n-caproic Acid; N-Acryloyl-ω-aminohexanoic Acid; NSC 288649; ε-(Acryloylamino)caproic Acid
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
OC(=O)CCCCCNC(=O)C=C
Molecular Formula
C9 H15 N O3
Molecular Weight
185.22
InChI
InChI=1S/C9H15NO3/c1-2-8(11)10-7-5-3-4-6-9(12)13/h2H,1,3-7H2,(H,10,11)(H,12,13)
Additionnal Information
IUPAC name: 6-(prop-2-enoylamino)hexanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Acrylamidohexanoic Acid
CAS Number20766-85-2
PubChem CID324200
IUPAC Name6-(prop-2-enoylamino)hexanoic acid
Molecular FormulaC9H15NO3
Molecular Weight185.22
XLogP0.7
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity189
SMILES
C=CC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C9H15NO3/c1-2-8(11)10-7-5-3-4-6-9(12)13/h2H,1,3-7H2,(H,10,11)(H,12,13)
InChIKey
SAQWCPXBLNGTCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Acrylamidohexanoic Acid
CAS: 20766-85-2
CID: 324200
Formula: C9H15NO3
MW: 185.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.22
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass185.10519334
Monoisotopic Mass185.10519334
Topological Polar Surface Area66.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
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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