Tetraethylenepentamine

CAT: 0926-FT106450-01Size: 1000 gDry Ice: NoHazardous: No

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CAT#:0926-FT106450-01Size:1000 g

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CAS Number

112-57-2

Synonyms

TEPA

MDL Number

MFCD00008168

Smiles

C (CNCCNCCNCCN) N

Molecular Formula

C8H23N5

Molecular Weight

189.3 g/mol

Controlled

Chemical Information

Tetraethylenepentamine

Tetraethylenepentamine is a polyazaalkane. It has a role as a copper chelator.

CAS Number	112-57-2
PubChem CID	8197
IUPAC Name	N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
Molecular Formula	C8H23N5
Molecular Weight	189.30
XLogP	-2.9
Topological Polar Surface Area	88.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	13
Formal Charge	0
Complexity	78

SMILES

C(CNCCNCCNCCN)N

InChI

InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2

InChIKey

FAGUFWYHJQFNRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112-57-2

CID: 8197

Formula: C8H23N5

MW: 189.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.30
XLogP3	-2.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	189.19534575
Monoisotopic Mass	189.19534575
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	78.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1002907-01	Tetraethylenepentamine
467339-01	Tetraethylenepentamine Pentahydrochloride
A8535-5000	Tetraethylenepentamine 5HCl
AR-A06194-01	Tetraethylenepentamine-d4
HY-B2153-01	Tetraethylenepentamine (pentahydrochloride)
JH912690	Acrylonitrile, glycidol, tetraethylenepentaMine reaction product
M5600-01	Mono- (6-Tetraethylenepentamine-6-deoxy) -β-Cyclodextrin