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Trientine Impurity 2

CAT: 1596-AR-T02970-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02970-02Size:25 Units
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CAS Number
31295-46-2
Synonyms
N1, N1, N2-Tris (2-aminoethyl) ethane-1,2-diamine; 4- (2-Aminoethyl) triethylenetetramine; N'- (2-Aminoethyl) tris (2-aminoethyl) amine
Molecular Formula
C8H23N5
Molecular Weight
189.31
API Name
Trientine

Chemical Information

1,2-Ethanediamine, N1,N1,N2-tris(2-aminoethyl)-
CAS Number31295-46-2
PubChem CID160198
IUPAC NameN'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
Molecular FormulaC8H23N5
Molecular Weight189.30
XLogP-3
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity92
SMILES
C(CNCCN(CCN)CCN)N
InChI
InChI=1S/C8H23N5/c9-1-4-12-5-8-13(6-2-10)7-3-11/h12H,1-11H2
InChIKey
ZORWGXDYTKQJQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Ethanediamine, N1,N1,N2-tris(2-aminoethyl)-
CAS: 31295-46-2
CID: 160198
Formula: C8H23N5
MW: 189.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.30
XLogP3-3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass189.19534575
Monoisotopic Mass189.19534575
Topological Polar Surface Area93.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity92.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-P-09036Trientine Impurity 24
CS-SN-00131-10MGTrientine Nitroso Impurity 2
CS-O-40255Trientine possible impurity 1
RM-T356002-01N-nitroso-Trientine Impurity 2
FT37067-01Trientine
MBS3613969-01Trientine-2HCl
CS-O-35428Mono nitroso Trientine
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CS-O-52127Dinitroso Trientine Dihydrochloride
CS-O-52126Mononitroso Trientine Dihydrochloride

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