6-(6-Aminohexanamido)hexanoic acid

HCID 895

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Basic information

CAS: 2014-58-6
Standard SMILES: NCCCCCC(=O)NCCCCCC(=O)O
InChIKey: IWENLYKHSZCPRD-UHFFFAOYSA-N
Molecular formula: C12H24N2O3
Average molar mass: 244.33 g/mol
Monoisotopic mass: 244.17869263

Overview

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.

Names & identifiers

Preferred name: 6-(6-Aminohexanamido)hexanoic acid
IUPAC: 6-(6-aminohexanoylamino)hexanoic acid
English name: HEXANOICACID,6-[(6-AMINO-1-OXOHEXYL)AMINO]-
Molecular formula: C12H24N2O3
Molecular weight: 244.33

Names & synonyms

6-(6-aminohexanamido)hexanoic acid2014-58-66-(6-aminohexanoylamino)hexanoic acidHexanoic acid, 6-[(6-amino-1-oxohexyl)amino]-6-Aminocaproic Acid DimerN-(6-aminohexanoyl)-6-aminohexanoic acidAminocaproic dimerMFCD13213194Aminocaproic Acid Impurity A6-[(6-Amino-1-oxohexyl)amino]hexanoic acid6-(6-aminohexanamido)hexanoicacidAKOS010404253

Show more names

H-Aca-Aca-OHAminocaproic Acid DimerAminocaproic Acid Dimer Impurity6-(6-Aminohexanamido)hexanoic ac6-Aminohexanoic Acid Dimer ImpurityN-(6'-Aminocaproyl)-6-aminocaproic Acid

Q27121569Bis-e-aminocaproic Acid; N-(6'-Aminocaproyl)-6-aminocaproic Acid; 6-Aminohexanoic Acid Dimer; 6-[(6-Amino-1-oxohexyl)amino]hexanoic Acid;[N-(6-Aminohexanoyl)]nC01255A909235SCHEMBL9130266CHEBI:49255DTXSID00274289

Database identifiers

CAS

Properties

Computed structural properties

XLogP: -2.1
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 17
Formal charge: 0
Complexity: 220

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Other Fatty Acyls [FA00]

Physicochemical properties

Melting point: 197 · 197-198 °C
Boiling point: 485.9 · 485.9±30.0 °C(Predicted)
Density: 1.058 · 1.058±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Very Slightly), Methanol (Slightly), Water (Slightly)
form: Solid
pka: 4.75 · 4.75±0.10(Predicted)
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses6-Aminocaproic Acid Dimer is a reactant with citric acid in the formation of 3-hydroxy-3,4-dicarboxy-butanamide-N-hexanoic acid.

Suppliers78 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Compound notes

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