Molecule structure of Ethylenediamine-N,N'-diacetic acid (CAS NO.5657-17-0):
IUPAC Name: 2-[2-(Carboxymethylamino)ethylamino]acetic acid
Molecular Weight: 176.17048 [g/mol]
Molecular Formula: C6H12N2O4
Index of Refraction: 1.509
Molar Refractivity: 40.16 cm3
Molar Volume: 134.4 cm3
Surface Tension: 57.5 dyne/cm
Density: 1.31 g/cm3
Melting Point: 224 °C (dec.)(lit.)
Flash Point: 203.7 °C
Enthalpy of Vaporization: 73.06 kJ/mol
Boiling Point: 413.2 °C at 760 mmHg
Vapour Pressure: 5.53E-08 mmHg at 25 °C
XLogP3-AA: -6
H-Bond Donor: 4
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Exact Mass: 176.079707
MonoIsotopic Mass: 176.079707
Topological Polar Surface Area: 98.7
Heavy Atom Count: 12
Canonical SMILES: C(CNCC(=O)O)NCC(=O)O
InChI: InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
InChIKey: IFQUWYZCAGRUJN-UHFFFAOYSA-N
EINECS: 227-105-6
Classification Code: Chelating agents
Ethylenediamine-N,N'-diacetic acid (CAS NO.5657-17-0) is used as a hemostatic.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Ethylenediamine-N,N'-diacetic acid (CAS NO.5657-17-0) is also named as AI3-62471 ; EDDA ; Ethylenediamine-N,N'-di(acetic acid) ; Glycine, N,N'-1,2-ethanediylbis- ; 2,2'-(Ethane-1,2-diyldiimino)diacetic acid . Ethylenediamine-N,N'-diacetic acid (CAS NO.5657-17-0) is white powder.
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