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6-Aminocaproic Acid Dimer

CAT: 0572-TRC-A603018-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A603018-250MGSize:250 mg
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CAS Number
2014-58-6
Synonyms
Bis-ε-aminocaproic Acid; N-(6'-Aminocaproyl)-6-aminocaproic Acid; 6-Aminohexanoic Acid Dimer; 6-[(6-Amino-1-oxohexyl)amino]hexanoic Acid;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC(CCCCCNC(CCCCCN)=O)=O
Molecular Formula
C12H24N2O3
Molecular Weight
244.33
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

6-(6-Aminohexanamido)hexanoic acid

N-(6-aminohexanoyl)-6-aminohexanoic acid is the N-(6-aminohexanoyl) derivative of 6-aminohexanoic acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a N-(6-aminohexanoyl)-6-aminohexanoate. It is a tautomer of a N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion.

CAS Number2014-58-6
PubChem CID895
IUPAC Name6-(6-aminohexanoylamino)hexanoic acid
Molecular FormulaC12H24N2O3
Molecular Weight244.33
XLogP-2.1
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count17
Formal Charge0
Complexity220
SMILES
C(CCC(=O)NCCCCCC(=O)O)CCN
InChI
InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKey
IWENLYKHSZCPRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(6-Aminohexanamido)hexanoic acid
CAS: 2014-58-6
CID: 895
Formula: C12H24N2O3
MW: 244.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.33
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass244.17869263
Monoisotopic Mass244.17869263
Topological Polar Surface Area92.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity220
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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CatalogName
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AR-A01924-01Aminocaproic Acid Dimer Impurity
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abx185303-016-Aminocaproic acid
C07969-10mg(6-) ε-​Aminocaproic acid
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