6-(6-Aminohexanamido)hexanoic acid

6-(6-aminohexanamido)hexanoic acid · H-Aca-Aca-OH · Aminocaproic Acid Dimer · 6-Aminocaproic acid dimer · Aminocaproic acid Impurity A · Aminocaproic Acid Dimer Impurity · 6-(6-Aminohexanamido)hexanoic ac · 6-Aminohexanoic Acid Dimer Impurity

https://huagongshe.com/de/chemical/895

Molekülstruktur von 6-(6-Aminohexanamido)hexanoic acid

Identifikatoren & physikalische Daten

CAS No.	2014-58-6
Summenformel	C12H24N2O3
Durchschnittliche Molmasse	244,33 g/mol
Monoisotopische Masse	244,17869263 g/mol
SMILES	NCCCCCC(=O)NCCCCCC(=O)O
InChIKey	IWENLYKHSZCPRD-UHFFFAOYSA-N
PubChem CID	895
ChEBI	CHEBI:49255
EC No.	998-509-4
DTXSID	DTXSID00274289

Chemische & physikalische Eigenschaften

XLogP	-2,1
Polarare Oberfläche (TPSA)	92,4
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	11
Schwere Atome	17
Formalladung	0
Komplexität	220
Lipide	Fatty Acyls [FA] -> Other Fatty Acyls [FA00]
Schmelzpunkt	197-198 °C
Siedepunkt	485.9±30.0 °C(Predicted)
Dichte	1.058±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit	Chloroform (Very Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	4.75±0.10(Predicted)
Farbe	White to Off-White

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 Classes and Categories	Skin Irrit. 2 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

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HCID 895Erstellt: 4. November 2026

6-(6-Aminohexanamido)hexanoic acid

https://huagongshe.com/de/chemical/895

Identifikatoren & physikalische Daten

CAS No.	2014-58-6
Summenformel	C12H24N2O3
Durchschnittliche Molmasse	244,33 g/mol
Monoisotopische Masse	244,17869263 g/mol
SMILES	NCCCCCC(=O)NCCCCCC(=O)O
InChIKey	IWENLYKHSZCPRD-UHFFFAOYSA-N
PubChem CID	895
ChEBI	CHEBI:49255
EC No.	998-509-4
DTXSID	DTXSID00274289

Chemische & physikalische Eigenschaften

XLogP	-2,1
Polarare Oberfläche (TPSA)	92,4
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	11
Schwere Atome	17
Formalladung	0
Komplexität	220
Lipide	Fatty Acyls [FA] -> Other Fatty Acyls [FA00]
Schmelzpunkt	197-198 °C
Siedepunkt	485.9±30.0 °C(Predicted)
Dichte	1.058±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit	Chloroform (Very Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	4.75±0.10(Predicted)
Farbe	White to Off-White

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 Classes and Categories	Skin Irrit. 2 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302