acetic acid;alumane;propane-1,3-diamine

C11H29AlN2O8 — CID 173265651

IUPACacetic acid;alumane;propane-1,3-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCCN.[AlH3]
InChIInChI=1S/C3H10N2.4C2H4O2.Al.3H/c4-2-1-3-5;4*1-2(3)4;;;;/h1-5H2;4*1H3,(H,3,4);;;;
InChIKeyNSYNCMWISLKXGX-UHFFFAOYSA-N
MW344.34 g/mol
LogP-1.53
Rot. Bonds2

About acetic acid;alumane;propane-1,3-diamine

acetic acid;alumane;propane-1,3-diamine (PubChem CID 173265651) has the molecular formula C11H29AlN2O8 and a molecular weight of 344.34 g/mol. Its IUPAC name is acetic acid;alumane;propane-1,3-diamine.

Molecular Properties

Compound Nameacetic acid;alumane;propane-1,3-diamine
PubChem CID173265651
Molecular FormulaC11H29AlN2O8
Molecular Weight344.34 g/mol
Exact Mass344.17
IUPAC Nameacetic acid;alumane;propane-1,3-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCCN.[AlH3]
InChIInChI=1S/C3H10N2.4C2H4O2.Al.3H/c4-2-1-3-5;4*1-2(3)4;;;;/h1-5H2;4*1H3,(H,3,4);;;;
InChIKeyNSYNCMWISLKXGX-UHFFFAOYSA-N
XLogP-1.53
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 5-1.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 160895097
CID 160895097
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CID 174564294
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Frequently Asked Questions

What is the IUPAC name of acetic acid;alumane;propane-1,3-diamine?
The IUPAC name of acetic acid;alumane;propane-1,3-diamine (CID 173265651) is acetic acid;alumane;propane-1,3-diamine.
What is the SMILES notation for acetic acid;alumane;propane-1,3-diamine?
The canonical SMILES for acetic acid;alumane;propane-1,3-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCCN.[AlH3].
What is the InChIKey of acetic acid;alumane;propane-1,3-diamine?
The InChIKey is NSYNCMWISLKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.4C2H4O2.Al.3H/c4-2-1-3-5;4*1-2(3)4;;;;/h1-5H2;4*1H3,(H,3,4);;;;.
What are the key properties of acetic acid;alumane;propane-1,3-diamine?
acetic acid;alumane;propane-1,3-diamine has a molecular weight of 344.34 g/mol, XLogP of -1.53, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;alumane;propane-1,3-diamine is sourced from PubChem (CID 173265651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).