Cas no 817-11-8 (Nitrilotripropionic Acid)

Nitrilotripropionic Acid structure
Nitrilotripropionic Acid structure
Product Name:Nitrilotripropionic Acid
CAS No:817-11-8
MF:C9H15NO6
MW:233.218503236771
MDL:MFCD00055827
CID:724908
PubChem ID:87573753
Update Time:2024-10-27

Nitrilotripropionic Acid Chemical and Physical Properties

Names and Identifiers

    • b-Alanine,N,N-bis(2-carboxyethyl)-
    • 3,3',3''-Nitrilotripropionic Acid
    • 3-[bis(2-carboxyethyl)amino]propanoic acid
    • Nitrilotripropionic acid
    • 3,3',3''-nitrilotripropanoic acid
    • YO42Z8V5HG
    • beta-Alanine, N,N-bis(2-carboxyethyl)-
    • NSC145698
    • IWTIBPIVCKUAHK-UHFFFAOYSA-N
    • Tris(3-oxo-3-hydroxypropyl)amine
    • N0409
    • N,N-Bis(2-carboxyethyl)-β-alanine (ACI)
    • Propionic acid, 3,3′,3′′-nitrilotri- (8CI)
    • 3,3′,3′′-Nitrilotripropanoic acid
    • 3,3′,3′′-Nitrilotripropionic acid
    • Nitrilotris(propionic acid)
    • NSC 145698
    • 3-(BIS(2-CARBOXYETHYL)AMINO)PROPANOIC ACID
    • .BETA.-ALANINE, N,N-BIS(2-CARBOXYETHYL)-
    • 3,3,3-Nitrilotripropionic Acid
    • 3,3',3''-nitrilotripropanoicacid
    • BS-23005
    • UNII-YO42Z8V5HG
    • 817-11-8
    • MFCD00055827
    • SCHEMBL163128
    • D91701
    • CS-0185980
    • N,N-BIS(2-CARBOXYETHYL)-.BETA.-ALANINE
    • HY-W127810
    • 3,3'',3''''-Nitrilotripropionic Acid
    • NSC-145698
    • PROPIONIC ACID, 3,3',3''-NITRILOTRI-
    • AKOS022588377
    • DTXSID70231248
    • Nitrilotripropionic Acid
    • MDL: MFCD00055827
    • Inchi: 1S/C9H15NO6/c11-7(12)1-4-10(5-2-8(13)14)6-3-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
    • InChI Key: IWTIBPIVCKUAHK-UHFFFAOYSA-N
    • SMILES: O=C(CCN(CCC(O)=O)CCC(O)=O)O

Computed Properties

  • Exact Mass: 233.09000
  • Monoisotopic Mass: 233.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 9
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 115
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.5

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 502.1±45.0 °C at 760 mmHg
  • Flash Point: 257.5±28.7 °C
  • Refractive Index: 1.532
  • PSA: 115.14000
  • LogP: -0.28750
  • Solubility: Not determined
  • Vapor Pressure: 0.0±2.8 mmHg at 25°C

Nitrilotripropionic Acid Security Information

Nitrilotripropionic Acid Customs Data

  • HS CODE:2921199090
  • Customs Data:

    China Customs Code:

    2921199090

    Overview:

    2921199090 Other acyclic monoamines and their derivatives and salts.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Nitrilotripropionic Acid Pricemore >>

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Nitrilotripropionic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  36 h, rt
Reference
Synthesis of Poly(amino)ester Dendrimers via Active Cyanomethyl Ester Intermediates
Bouillon, Camille; Tintaru, Aura; Monnier, Valerie; Charles, Laurence; Quelever, Gilles; et al, Journal of Organic Chemistry, 2010, 75(24), 8685-8688

Production Method 2

Reaction Conditions
1.1 Reagents: Ammonium hydroxide Solvents: Water ;  0 °C; 30 min, 0 °C; 0 °C → rt; 40 min, rt → reflux; > 1 h, reflux
Reference
The Novel Synthesis of La0.8Sr0.2MnO3 Using the Michael-Addition Directed Hydrogelation of Acrylates for Materials Synthesis (MADHAMS) Method
Walker, Edwin H. Jr.; Apblett, Allen W.; Walker, Ron; Zachary, Adam, Chemistry of Materials, 2004, 16(25), 5336-5343

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydroxide
Reference
General method for the synthesis of trishydroxamic acids
Karunaratne, V.; Hoveyda, H. R.; Orvig, C., Tetrahedron Letters, 1992, 33(14), 1827-30

Production Method 4

Reaction Conditions
1.1 Reagents: Acetyl chloride Solvents: Dichloromethane ,  Water ;  6 h, rt
Reference
Synthesis and biological evaluation of 3-amino-propan-1-ol based poly(ether imine) dendrimers
Krishna, Thatavarathy Rama; Jain, Samta; Tatu, Utpal S.; Jayaraman, Narayanaswamy, Tetrahedron, 2005, 61(17), 4281-4288

Production Method 5

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  rt; 24 h, rt
Reference
Synthesis of poly(aminoester) dendrimers via 'click' chemistry in combination with the divergent and convergent strategies
Moreno, Pierre ; Quelever, Gilles; Peng, Ling, Tetrahedron Letters, 2015, 56(26), 4043-4046

Production Method 6

Reaction Conditions
1.1 Reagents: Ammonium chloride Catalysts: Sodium hydroxide Solvents: Water
Reference
Synthesis and study of the structure of anionic forms of nitrilotris(propionic acid) by IR and proton NMR spectroscopy
Zhadanov, B. V.; Tsirul'mikova, N. V.; Polyakova, I. A.; Egorushkina, N. A.; Kaslina, N. A.; et al, Zhurnal Obshchei Khimii, 1985, 55(5), 1149-54

Production Method 7

Reaction Conditions
1.1 Solvents: Isopropanol ;  8 h, 120 °C
Reference
New Synthesis of 3,3',3"-Nitrilotripropionic Acid
Lisin, A. V.; Akhmadullin, R. M.; Akhmadullina, A. G.; Spiridonova, R. R., Russian Journal of Organic Chemistry, 2021, 57(6), 1006-1008

Nitrilotripropionic Acid Raw materials

Nitrilotripropionic Acid Preparation Products

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