N-(2-Carboxyethyl)iminodiacetic acid

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Catalog Number
ACM6245756
Product Name
N-(2-Carboxyethyl)iminodiacetic acid
Structure
Structure
CAS
6245-75-6
Category
Heterocyclic Organic Compound
Synonyms
N,N-Bis(carboxymethyl)-beta-alanine
IUPAC Name
3-[Bis(carboxymethyl)amino]propanoic acid
Molecular Weight
205.17
Molecular Formula
C7H11NO6
Canonical SMILES
C(CN(CC(=O)O)CC(=O)O)C(=O)O
InChI
InChI=1S/C7H11NO6/c9-5(10)1-2-8(3-6(11)12)4-7(13)14/h1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChI Key
UWRBFYBQPCJRRL-UHFFFAOYSA-N
Boiling Point
495.8ºC at 760 mmHg
Melting Point
195 °C
Flash Point
253.7ºC
Density
1.517g/cm³
Complexity
222
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
228-360-6
Exact Mass
205.05863707
H-Bond Acceptor
7
H-Bond Donor
3
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Monoisotopic Mass
205.05863707
Physical State
Solid
Rotatable Bond Count
7
Topological Polar Surface Area
115 Ų
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