Cas no 34441-14-0 (Nicotianamine)

Nicotianamine structure
Nicotianamine structure
Product Name:Nicotianamine
CAS No:34441-14-0
MF:C12H21N3O6
MW:303.311643362045
CID:307354
PubChem ID:9882882
Update Time:2025-04-19

Nicotianamine Chemical and Physical Properties

Names and Identifiers

    • Nicotianamine
    • (2S:3'S:3''S)-N-[N-(3-amino-3-carboxypropyl)-3-amino-3-carboxypropyl]-azetidine-2-carboxylic acid
    • 1-Azetidinebutanoicacid, a-[[(3S)-3-amino-3-carboxypropyl]amino]-2-carboxy-,(aS,2S)-
    • (2S)-1-[(3S)-3-[[(3S)-3-amino-3-carboxypropyl]amino]-3-carboxypropyl]azetidine-2-carboxylic acid
    • J-019609
    • DTXSID8037677
    • 1-Azetidinebutanoic acid, alpha-((3-amino-3-carboxypropyl)amino)-2-car boxy-, (2S-(1(alphaR*(R*)),2R*))-
    • AKOS030242342
    • 044DBB66-112B-48B2-8A19-380C1C452CB2
    • Q11324211
    • [2S-[1[alphaR*(R*)],2R*]]-alpha-[(3-Amino-3-carboxypropyl)amino]-2-carboxy- 1-azetidinebutanoic Acid
    • 2OGX6YHQ1F
    • CHEBI:17721
    • UNII-2OGX6YHQ1F
    • (alphaS,2S)-alpha-[[(3S)-3-Amino-3-carboxypropyl]amino]-2-carboxy-1-azetidinebutanoic Acid
    • SCHEMBL542007
    • CHEMBL3581907
    • BDBM50090921
    • (S,S,S)-nicotianamine
    • 1-Azetidinebutanoic acid, alpha-((3-amino-3-carboxypropyl)amino)-2-carboxy-, (2S-(1(alphaR*(R*)),2R*))-
    • (2S)-1-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid
    • C05324
    • 34441-14-0
    • G91506
    • Inchi: 1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
    • InChI Key: KRGPXXHMOXVMMM-CIUDSAMLSA-N
    • SMILES: OC([C@@H]1CCN1CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N)=O

Computed Properties

  • Exact Mass: 303.14300
  • Monoisotopic Mass: 303.143
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 386
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 169A^2
  • XLogP3: -8.2

Experimental Properties

  • Density: 1.421
  • Melting Point: >220°C dec.
  • Boiling Point: 633.3°Cat760mmHg
  • Flash Point: 336.8°C
  • Refractive Index: 1.578
  • PSA: 153.19000
  • LogP: -0.59070
  • Vapor Pressure: 0.0±4.0 mmHg at 25°C

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