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N-Methyliminodiacetic Acid

CAT: 0572-TRC-M313238-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M313238-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4408-64-4
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CN(CC(=O)O)CC(=O)O
Molecular Formula
C5 H9 N O4
Molecular Weight
147.13
InChI
InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
Additionnal Information
IUPAC name: 2-[carboxymethyl(methyl)amino]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-methyliminodiacetic acid

structure in first source

CAS Number4408-64-4
PubChem CID20441
IUPAC Name2-[carboxymethyl(methyl)amino]acetic acid
Molecular FormulaC5H9NO4
Molecular Weight147.13
XLogP-3.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
XWSGEVNYFYKXCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyliminodiacetic acid
CAS: 4408-64-4
CID: 20441
Formula: C5H9NO4
MW: 147.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.13
XLogP3-3.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass147.05315777
Monoisotopic Mass147.05315777
Topological Polar Surface Area77.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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