N-(5-Amino-1-carboxypentyl)iminodiacetic acid

HCID 7019830CAS 113231-05-3

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Grundinformationen

Standard-SMILES: NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O
InChIKey: SYFQYGMJENQVQT-ZETCQYMHSA-N
Summenformel: C10H18N2O6
Durchschnittliche Molmasse: 262,26 g/mol
Monoisotopische Masse: 262,1164863

Namen und Bezeichner

Bevorzugter Name: N-(5-Amino-1-carboxypentyl)iminodiacetic acid
IUPAC: (2S)-6-amino-2-[bis(carboxymethyl)amino]hexanoic acid
Englischer Name: (S)-N-(5-AMINO-1-CARBOXYPENTYL)IMINODIACETIC ACID HYDRATE
Summenformel: C10H18N2O6
Molmasse: 262.26

Namen und Synonyme

113231-05-3(5S)-N-(5-Amino-1-carboxypentyl)iminodiacetic AcidDTXSID401252965RefChem:828028DTXCID001683746814-520-8N-(5-Amino-1-carboxypentyl)iminodiacetic acid(S)-2,2'-((5-Amino-1-carboxypentyl)azanediyl)diacetic acidN2,N2-Bis(carboxymethyl)-L-lysineLysine, N2,N2-bis(carboxymethyl)-N,N-bis(carboxymethyl)-L-lysinenalpha,nalpha-bis(carboxymethyl)-l-lysine

Weitere Namen anzeigen

Nα,Nα-Bis(carboxymethyl)-L-lysineAB-NTAN-(5-Amino-1-carboxypentyl)iminodiacetic disodium salt monohydrateLysine-N,N-diacetic acidL-Lysine, N2,N2-bis(carboxymethyl)-

MFCD00237437(2S)-6-AMINO-2-[BIS(CARBOXYMETHYL)AMINO]HEXANOIC ACIDN|A,N|A-Bis(carboxymethyl)-L-lysineC10H18N2O6Nalpha,Nalpha-Bis-(carboxymethyl)-L-lysineBCMLN,N-biscarboxymethyl-L-lysineSCHEMBL158632

Datenbank-Bezeichner

CAS: 113231-05-3
PubChem CID: 7019830
DTXSID: DTXSID401252965
EC Number: 814-520-8
Nikkaji: J720.389F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -5,3
Polarare Oberfläche (TPSA): 141 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 10
Schwere Atome: 18
Formalladung: 0
Komplexität: 291

Physikochemische Eigenschaften

Schmelzpunkt: 208 °C · >208°C
Siedepunkt: 537.8 · 537.8±50.0 °C(Predicted)
Dichte: 1.389 · 1.389
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Aqueous Acid (Slightly), Methanol (Very Slightly, Heated), Water (Sparingly)
Aggregatzustand: Solid
pka: 1.67 · 1.67±0.10(Predicted)
Farbe: White to Off-White
Stabilität: Moisture Sensitive
InChI: InChI=1S/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)/t7-/m0/s1
InChIKey: SYFQYGMJENQVQT-ZETCQYMHSA-N
SMILES: C(O)(=O)[C@H](CCCCN)N(CC(O)=O)CC(O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2922498590
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(5S)-N-(5-AMINO-1-CARBOXYPENTYL)IMINODIACETIC ACID HYDRATE is a nitrilotriacetic acid derivative used as a metal chelating adsorbent for metal ion affinity chromatography. This method can be used for identification and rapid one-step purification of gene products expressed as fusion proteins with an oligo-histidine tag. The oligo-histidine tag serves as a high affinity binding sequence for the purification of fusion proteins via a metal chelating absorbent such as N-(5-Amino-1-carboxypentyl)iminodiacetic acid. Also soluble in DMSO:DMF 1:1 and DMSO:CH2Cl2 1:2