acetic acid;azane;ethane-1,2-diamine;dihydrochloride

C14H40Cl2N4O12 — CID 175302181

IUPACacetic acid;azane;ethane-1,2-diamine;dihydrochloride
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cl.Cl.N.N.NCCN
InChIInChI=1S/C2H8N2.6C2H4O2.2ClH.2H3N/c3-1-2-4;6*1-2(3)4;;;;/h1-4H2;6*1H3,(H,3,4);2*1H;2*1H3
InChIKeyMUBVMIRGNOBYAV-UHFFFAOYSA-N
MW527.40 g/mol
LogP0.62
Rot. Bonds1

About acetic acid;azane;ethane-1,2-diamine;dihydrochloride

acetic acid;azane;ethane-1,2-diamine;dihydrochloride (PubChem CID 175302181) has the molecular formula C14H40Cl2N4O12 and a molecular weight of 527.40 g/mol. Its IUPAC name is acetic acid;azane;ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Nameacetic acid;azane;ethane-1,2-diamine;dihydrochloride
PubChem CID175302181
Molecular FormulaC14H40Cl2N4O12
Molecular Weight527.40 g/mol
Exact Mass526.20
IUPAC Nameacetic acid;azane;ethane-1,2-diamine;dihydrochloride
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cl.Cl.N.N.NCCN
InChIInChI=1S/C2H8N2.6C2H4O2.2ClH.2H3N/c3-1-2-4;6*1-2(3)4;;;;/h1-4H2;6*1H3,(H,3,4);2*1H;2*1H3
InChIKeyMUBVMIRGNOBYAV-UHFFFAOYSA-N
XLogP0.62
TPSA345.84 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.40
LogP ≤ 50.62
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

acetic acid;ethane-1,2-diamine;ytterbium
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acetic acid;copper;ethane-1,2-diamine
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acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 161328323
CID 161328323
CID 160967655
CID 160967655
acetic acid;ethane-1,2-diamine;lanthanum;terbium
CID 174691220
tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232
disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
CID 173086150
CID 173086150

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;ethane-1,2-diamine;dihydrochloride?
The IUPAC name of acetic acid;azane;ethane-1,2-diamine;dihydrochloride (CID 175302181) is acetic acid;azane;ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for acetic acid;azane;ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for acetic acid;azane;ethane-1,2-diamine;dihydrochloride is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cl.Cl.N.N.NCCN.
What is the InChIKey of acetic acid;azane;ethane-1,2-diamine;dihydrochloride?
The InChIKey is MUBVMIRGNOBYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.6C2H4O2.2ClH.2H3N/c3-1-2-4;6*1-2(3)4;;;;/h1-4H2;6*1H3,(H,3,4);2*1H;2*1H3.
What are the key properties of acetic acid;azane;ethane-1,2-diamine;dihydrochloride?
acetic acid;azane;ethane-1,2-diamine;dihydrochloride has a molecular weight of 527.40 g/mol, XLogP of 0.62, 1 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 175302181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).