α1-[3-[(2-Aminoethyl)amino]-3-oxopropyl]hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid

CAS Registry Number®

1630114-57-6
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CAS Name

α1-[3-[(2-Aminoethyl)amino]-3-oxopropyl]hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid

Molecular Formula

C17H31N5O7

Molecular Mass

417.46

Cite this Page

α1-[3-[(2-Aminoethyl)amino]-3-oxopropyl]hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1630114-57-6 (retrieved 2024-09-10) (CAS RN: 1630114-57-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H31N5O7/c18-3-4-19-14(23)2-1-13(17(28)29)22-9-7-20(11-15(24)25)5-6-21(8-10-22)12-16(26)27/h13H,1-12,18H2,(H,19,23)(H,24,25)(H,26,27)(H,28,29)

InChIKey

InChIKey=DTPTWBYXQVMEMQ-UHFFFAOYSA-N

SMILES

C(CCC(NCCN)=O)(C(O)=O)N1CCN(CC(O)=O)CCN(CC(O)=O)CC1

Canonical SMILES

O=C(O)CN1CCN(CC(=O)O)CCN(CC1)C(C(=O)O)CCC(=O)NCCN

Other Names for this Substance

  • 1H-1,4,7-Triazonine-1,4,7-triacetic acid, α1-[3-[(2-aminoethyl)amino]-3-oxopropyl]hexahydro-
  • α1-[3-[(2-Aminoethyl)amino]-3-oxopropyl]hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid

Deleted or Replaced CAS Registry Numbers

2237230-53-2