U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 3C4H9O.Nd
Molecular Weight 363.583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Neodymium tris(2-methyl-1-propanolate)

SMILES

[Nd+3].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-]

InChI

InChIKey=CNYJDTOVGSVIEV-UHFFFAOYSA-N
InChI=1S/3C4H9O.Nd/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3

HIDE SMILES / InChI

Molecular Formula C4H9O
Molecular Weight 73.1137
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Nd
Molecular Weight 144.242
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:55:08 GMT 2025
Edited
by admin
on Wed Apr 02 20:55:08 GMT 2025
Record UNII
BK79ZG7RMA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Neodymium tris(2-methyl-1-propanolate)
Systematic Name English
1-Propanol, 2-methyl-, neodymium(3+) salt
Preferred Name English
Neodymium tris(2-methylprop-1-oxide)
Systematic Name English
Code System Code Type Description
CAS
87198-09-2
Created by admin on Wed Apr 02 20:55:08 GMT 2025 , Edited by admin on Wed Apr 02 20:55:08 GMT 2025
PRIMARY
FDA UNII
BK79ZG7RMA
Created by admin on Wed Apr 02 20:55:08 GMT 2025 , Edited by admin on Wed Apr 02 20:55:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE