Nicotianamine

CAS Registry Number®

34441-14-0
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CAS Name

Nicotianamine

Molecular Formula

C12H21N3O6

Molecular Mass

303.31

Cite this Page

Nicotianamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=34441-14-0 (retrieved 2024-04-25) (CAS RN: 34441-14-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KRGPXXHMOXVMMM-CIUDSAMLSA-N

SMILES

C(C[C@H](NCC[C@@H](C(O)=O)N)C(O)=O)N1[C@H](C(O)=O)CC1

Canonical SMILES

O=C(O)C(N)CCNC(C(=O)O)CCN1CCC1C(=O)O

Other Names for this Substance

  • 1-Azetidinebutanoic acid, α-[[(3S)-3-amino-3-carboxypropyl]amino]-2-carboxy-, (αS,2S)-
  • 1-Azetidinebutanoic acid, α-[(3-amino-3-carboxypropyl)amino]-2-carboxy-, [2S-[1[αR*(R*)],2R*]]-
  • (αS,2S)-α-[[(3S)-3-Amino-3-carboxypropyl]amino]-2-carboxy-1-azetidinebutanoic acid
  • Nicotianamine

Deleted or Replaced CAS Registry Numbers

741192-60-9

CAS INSIGHTSTM
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