acetic acid;azane

C2H28N8O2 — CID 173340275

IUPACacetic acid;azane
SMILESCC(=O)O.N.N.N.N.N.N.N.N
InChIInChI=1S/C2H4O2.8H3N/c1-2(3)4;;;;;;;;/h1H3,(H,3,4);8*1H3
InChIKeyAKPHWPJHVFWPQV-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.39
Rot. Bonds

About acetic acid;azane

acetic acid;azane (PubChem CID 173340275) has the molecular formula C2H28N8O2 and a molecular weight of 196.30 g/mol. Its IUPAC name is acetic acid;azane.

Molecular Properties

Compound Nameacetic acid;azane
PubChem CID173340275
Molecular FormulaC2H28N8O2
Molecular Weight196.30 g/mol
Exact Mass196.23
IUPAC Nameacetic acid;azane
SMILESCC(=O)O.N.N.N.N.N.N.N.N
InChIInChI=1S/C2H4O2.8H3N/c1-2(3)4;;;;;;;;/h1H3,(H,3,4);8*1H3
InChIKeyAKPHWPJHVFWPQV-UHFFFAOYSA-N
XLogP1.39
TPSA317.30 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.30
LogP ≤ 51.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

acetic acid;azane;propan-2-one
CID 174728402
acetic acid;azane;zirconium
CID 173280365
acetic acid
CID 158444727
CID 175328207
CID 175328207
hexasodium;acetic acid;azane;hydride
CID 173374702
acetic acid;stibane
CID 174267479
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 59294242
acetic acid;tris(yttrium)
CID 59994727
acetic acid;nickel(2+)
CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane?
The IUPAC name of acetic acid;azane (CID 173340275) is acetic acid;azane.
What is the SMILES notation for acetic acid;azane?
The canonical SMILES for acetic acid;azane is CC(=O)O.N.N.N.N.N.N.N.N.
What is the InChIKey of acetic acid;azane?
The InChIKey is AKPHWPJHVFWPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.8H3N/c1-2(3)4;;;;;;;;/h1H3,(H,3,4);8*1H3.
What are the key properties of acetic acid;azane?
acetic acid;azane has a molecular weight of 196.30 g/mol, XLogP of 1.39, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane is sourced from PubChem (CID 173340275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).