N-(2-Carboxyethyl)-N-nitro-β-alanine

CAS Registry Number®

99-69-4

CAS Name

N-(2-Carboxyethyl)-N-nitro-β-alanine

Molecular Formula

C6H10N2O6

Molecular Mass

206.15

Cite this Page

N-(2-Carboxyethyl)-N-nitro-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99-69-4 (retrieved 2024-12-23) (CAS RN: 99-69-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-111 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H10N2O6/c9-5(10)1-3-7(8(13)14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)

InChIKey

InChIKey=MXPYFZODOSRODU-UHFFFAOYSA-N

SMILES

N(CCC(O)=O)(CCC(O)=O)N(=O)=O

Canonical SMILES

O=C(O)CCN(N(=O)=O)CCC(=O)O

Other Names for this Substance

  • β-Alanine, N-(2-carboxyethyl)-N-nitro-
  • Propionic acid, 3,3′-(nitroimino)di-
  • N-(2-Carboxyethyl)-N-nitro-β-alanine
  • 4-Nitro-4-azaheptanedioic acid
  • NSC 206121

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.