tris(ethene-1,1,2,2-tetramine);tetrahydrochloride

C6H28Cl4N12 — CID 18756960

IUPACtris(ethene-1,1,2,2-tetramine);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N
InChIInChI=1S/3C2H8N4.4ClH/c3*3-1(4)2(5)6;;;;/h3*3-6H2;4*1H
InChIKeySGXLCVWYOUZYCD-UHFFFAOYSA-N
MW410.19 g/mol
LogP-4.47
Rot. Bonds

About tris(ethene-1,1,2,2-tetramine);tetrahydrochloride

tris(ethene-1,1,2,2-tetramine);tetrahydrochloride (PubChem CID 18756960) has the molecular formula C6H28Cl4N12 and a molecular weight of 410.19 g/mol. Its IUPAC name is tris(ethene-1,1,2,2-tetramine);tetrahydrochloride.

Molecular Properties

Compound Nametris(ethene-1,1,2,2-tetramine);tetrahydrochloride
PubChem CID18756960
Molecular FormulaC6H28Cl4N12
Molecular Weight410.19 g/mol
Exact Mass408.13
IUPAC Nametris(ethene-1,1,2,2-tetramine);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N
InChIInChI=1S/3C2H8N4.4ClH/c3*3-1(4)2(5)6;;;;/h3*3-6H2;4*1H
InChIKeySGXLCVWYOUZYCD-UHFFFAOYSA-N
XLogP-4.47
TPSA312.24 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500410.19
LogP ≤ 5-4.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Related Compounds

Azane;tris(ethene-1,1,2,2-tetramine)
CID 19893076
Bis(ethene-1,1,2,2-tetramine);hydrochloride
CID 118112492
Azane;tris(ethene-1,1,2,2-tetramine)
CID 173258731
Tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride
CID 173327942
Tris(ethene-1,1,2,2-tetramine);rhodium;hydrochloride
CID 173485294
Ethene-1,1,2,2-tetramine;tetrahydrochloride
CID 174143268

Frequently Asked Questions

What is the IUPAC name of tris(ethene-1,1,2,2-tetramine);tetrahydrochloride?
The IUPAC name of tris(ethene-1,1,2,2-tetramine);tetrahydrochloride (CID 18756960) is tris(ethene-1,1,2,2-tetramine);tetrahydrochloride.
What is the SMILES notation for tris(ethene-1,1,2,2-tetramine);tetrahydrochloride?
The canonical SMILES for tris(ethene-1,1,2,2-tetramine);tetrahydrochloride is Cl.Cl.Cl.Cl.NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.
What is the InChIKey of tris(ethene-1,1,2,2-tetramine);tetrahydrochloride?
The InChIKey is SGXLCVWYOUZYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H8N4.4ClH/c3*3-1(4)2(5)6;;;;/h3*3-6H2;4*1H.
What are the key properties of tris(ethene-1,1,2,2-tetramine);tetrahydrochloride?
tris(ethene-1,1,2,2-tetramine);tetrahydrochloride has a molecular weight of 410.19 g/mol, XLogP of -4.47, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethene-1,1,2,2-tetramine);tetrahydrochloride is sourced from PubChem (CID 18756960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).