ChemicalBook--->CAS DataBase List--->4408-64-4

4408-64-4

4408-64-4 Structure

4408-64-4 Structure
IdentificationMore
[Name]

N-Methyliminodiacetic acid
[CAS]

4408-64-4
[Synonyms]

METHYLIMINODIACETIC ACID
N-METHYLIMINODIACETIC ACID
Glycine, N-(carboxymethyl)-N-methyl-
strombine
N-(Carboxymethyl)-N-methyl-glycine
2,2'-(Methylimino)bisacetic acid
Methyliminobisacetic acid
N-Methyl-N-(carboxymethyl)glycine
[EINECS(EC#)]

224-557-6
[Molecular Formula]

C5H9NO4
[MDL Number]

MFCD00004284
[Molecular Weight]

147.13
[MOL File]

4408-64-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

220 °C (dec.)(lit.)
[Boiling point ]

267.21°C (rough estimate)
[density ]

1.4285 (rough estimate)
[refractive index ]

1.4210 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Methanol (Slightly, Heated, Sonicated), Water (Soluble)
[form ]

Powder
[pka]

pK1:2.15;pK2:10.09 (25°C)
[color ]

White to cream
[Water Solubility ]

Soluble in water. Slightly soluble in dimethyl sulfoxide.
[BRN ]

1765449
[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
[SMILES]

C(O)(=O)CN(CC(O)=O)C
[LogP]

-0.910 (est)
[CAS DataBase Reference]

4408-64-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

No
[HS Code ]

29171900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Barium sulfate-->Sodium chloroacetate-->Barium chloride dihydrate-->Barium acetate-->oxygen-17 atom-->2-Phenyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione-->Phenyl-alpha-MIDA-boryl aldehyde-->Acetyleneboronic acid MIDA ester, Acetynylboronic acid MIDA ester, Ethyneboronic acid MIDA ester-->2-Pyridinylboronic acid MIDA ester
[Preparation Products]

Cyclopropylboronic acid methyliminodiacetic acid anhydride-->6-Methyl-2-(naphthalen-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione-->trans-(2-Cyclohexylvinyl)boronic acid MIDA ester-->2-(4-(Hydroxymethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione-->1-(tert-Butoxycarbonyl)pyrrole-2-boronic acid MIDA ester-->[2-(4-Methylphenyyl)ethynyl-boronic acid MIDA ester
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

N-Methyliminodiacetic acid is used to prepare bis-(1H-benzoimidazol-2-ylmethyl)-methyl-amine by condensation with benzene-1,2-diamine. It is involved in Suzuki cross-coupling with N-methyliminodiacetic acid (MIDA) boronates. It acts as a reagent utilized for protecting boronic acids and as a chelating agent for various metals.
Spectrum DetailBack Directory
[Spectrum Detail]

N-Methyliminodiacetic acid(4408-64-4)MS
N-Methyliminodiacetic acid(4408-64-4)1HNMR
N-Methyliminodiacetic acid(4408-64-4)13CNMR
N-Methyliminodiacetic acid(4408-64-4)IR1
N-Methyliminodiacetic acid(4408-64-4)IR2
N-Methyliminodiacetic acid(4408-64-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methyliminodiacetic acid, 99%(4408-64-4)
[Alfa Aesar]

N-Methyliminodiacetic acid, 99%(4408-64-4)
[Sigma Aldrich]

4408-64-4(sigmaaldrich)
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