3-Pyridinol, 6-[2-[(1-methylethyl)amino]propyl]-, (2E)-2-butenedioate (1:1) (salt)
CAS Registry Number®
76906-80-4
CAS Name
3-Pyridinol, 6-[2-[(1-methylethyl)amino]propyl]-, (2E)-2-butenedioate (1:1) (salt)Molecular Formula
C11H18N2O.C4H4O4Cite this Page
3-Pyridinol, 6-[2-[(1-methylethyl)amino]propyl]-, (2E)-2-butenedioate (1:1) (salt). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=78997-41-8 (retrieved ) (CAS RN: 76906-80-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C11H18N2O.C4H4O4/c1-8(2)13-9(3)6-10-4-5-11(14)7-12-10;5-3(6)1-2-4(7)8/h4-5,7-9,13-14H,6H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
InChIKey=FNBJFWHBTSGFGU-WLHGVMLRSA-N
SMILES
C(C(NC(C)C)C)C1=CC=C(O)C=N1.C(=C/C(O)=O)\C(O)=O
Canonical SMILES
O=C(O)C=CC(=O)O.OC1=CN=C(C=C1)CC(NC(C)C)C
Other Names for this Substance
- 3-Pyridinol, 6-[2-[(1-methylethyl)amino]propyl]-, (2E)-2-butenedioate (1:1) (salt)
- 3-Pyridinol, 6-[2-[(1-methylethyl)amino]propyl]-, (E)-2-butenedioate (1:1) (salt)
Deleted or Replaced CAS Registry Numbers
78997-41-8
