arsane;ethane-1,2-diamine

C2H11AsN2 — CID 174848098

IUPACarsane;ethane-1,2-diamine
SMILESNCCN.[AsH3]
InChIInChI=1S/C2H8N2.AsH3/c3-1-2-4;/h1-4H2;1H3
InChIKeyTYRSEPYSRHWYAJ-UHFFFAOYSA-N
MW138.05 g/mol
LogP-2.28
Rot. Bonds1

About arsane;ethane-1,2-diamine

arsane;ethane-1,2-diamine (PubChem CID 174848098) has the molecular formula C2H11AsN2 and a molecular weight of 138.05 g/mol. Its IUPAC name is arsane;ethane-1,2-diamine.

Molecular Properties

Compound Namearsane;ethane-1,2-diamine
PubChem CID174848098
Molecular FormulaC2H11AsN2
Molecular Weight138.05 g/mol
Exact Mass138.01
IUPAC Namearsane;ethane-1,2-diamine
SMILESNCCN.[AsH3]
InChIInChI=1S/C2H8N2.AsH3/c3-1-2-4;/h1-4H2;1H3
InChIKeyTYRSEPYSRHWYAJ-UHFFFAOYSA-N
XLogP-2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.05
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of arsane;ethane-1,2-diamine?
The IUPAC name of arsane;ethane-1,2-diamine (CID 174848098) is arsane;ethane-1,2-diamine.
What is the SMILES notation for arsane;ethane-1,2-diamine?
The canonical SMILES for arsane;ethane-1,2-diamine is NCCN.[AsH3].
What is the InChIKey of arsane;ethane-1,2-diamine?
The InChIKey is TYRSEPYSRHWYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.AsH3/c3-1-2-4;/h1-4H2;1H3.
What are the key properties of arsane;ethane-1,2-diamine?
arsane;ethane-1,2-diamine has a molecular weight of 138.05 g/mol, XLogP of -2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for arsane;ethane-1,2-diamine is sourced from PubChem (CID 174848098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).