Products for Research Use Only

Diethylene Triamine 98% For Synthesis

CAT: 1507-00994 00500Size: 500 mLDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1507-00994 00500Size:500 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
111-40-0

Chemical Information

Diethylenetriamine

Diethylenetriamine is a triamine and a polyazaalkane.

CAS Number111-40-0
PubChem CID8111
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine
Molecular FormulaC4H13N3
Molecular Weight103.17
XLogP-2.1
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity26
SMILES
C(CNCCN)N
InChI
InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
InChIKey
RPNUMPOLZDHAAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylenetriamine
CAS: 111-40-0
CID: 8111
Formula: C4H13N3
MW: 103.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight103.17
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass103.110947427
Monoisotopic Mass103.110947427
Topological Polar Surface Area64.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity26.1
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