2-dimethylarsanylaniline

C8H12AsN — CID 101154305

IUPAC2-dimethylarsanylaniline
SMILESC[As](C)c1ccccc1N
InChIInChI=1S/C8H12AsN/c1-9(2)7-5-3-4-6-8(7)10/h3-6H,10H2,1-2H3
InChIKeyIUNZETKAJPNQNG-UHFFFAOYSA-N
MW197.11 g/mol
LogP1.23
Rot. Bonds1

About 2-dimethylarsanylaniline

2-dimethylarsanylaniline (PubChem CID 101154305) has the molecular formula C8H12AsN and a molecular weight of 197.11 g/mol. Its IUPAC name is 2-dimethylarsanylaniline.

Molecular Properties

Compound Name2-dimethylarsanylaniline
PubChem CID101154305
Molecular FormulaC8H12AsN
Molecular Weight197.11 g/mol
Exact Mass197.02
IUPAC Name2-dimethylarsanylaniline
SMILESC[As](C)c1ccccc1N
InChIInChI=1S/C8H12AsN/c1-9(2)7-5-3-4-6-8(7)10/h3-6H,10H2,1-2H3
InChIKeyIUNZETKAJPNQNG-UHFFFAOYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);bis((2-dimethylarsanylphenyl)-dimethylarsane)
CID 5246850
benzene-1,2-diamine;tetrahydrofluoride
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benzene-1,2-diamine;zinc
CID 70562194
benzene-1,2-diamine;N-methylmethanamine
CID 174458514
CID 175145864
CID 175145864
CID 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
CID 175394275
CID 175394275
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
CID 175440029
CID 175440029

Frequently Asked Questions

What is the IUPAC name of 2-dimethylarsanylaniline?
The IUPAC name of 2-dimethylarsanylaniline (CID 101154305) is 2-dimethylarsanylaniline.
What is the SMILES notation for 2-dimethylarsanylaniline?
The canonical SMILES for 2-dimethylarsanylaniline is C[As](C)c1ccccc1N.
What is the InChIKey of 2-dimethylarsanylaniline?
The InChIKey is IUNZETKAJPNQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12AsN/c1-9(2)7-5-3-4-6-8(7)10/h3-6H,10H2,1-2H3.
What are the key properties of 2-dimethylarsanylaniline?
2-dimethylarsanylaniline has a molecular weight of 197.11 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylarsanylaniline is sourced from PubChem (CID 101154305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).