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7048-26-2

7048-26-2 | Triethanolamine thiocyanate

CAS No: 7048-26-2 Catalog No: AG005IK9 MDL No:

Product Description

Catalog Number:
AG005IK9
Chemical Name:
Triethanolamine thiocyanate
CAS Number:
7048-26-2
Molecular Formula:
C7H15N2O3S-
Molecular Weight:
207.2706
IUPAC Name:
2-[bis(2-hydroxyethyl)amino]ethanol;thiocyanic acid
InChI:
InChI=1S/C6H15NO3.CHNS/c8-4-1-7(2-5-9)3-6-10;2-1-3/h8-10H,1-6H2;3H
InChI Key:
VTKGGWOFETWPBG-UHFFFAOYSA-N
SMILES:
OCCN(CCO)CCO.[S-]C#N
EC Number:
230-327-6
UNII:
7NW7851GXO

Properties

Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.088g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
208.276g/mol
Monoisotopic Mass:
208.088g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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