arsoric acid;benzene-1,4-diamine

C6H11AsN2O4 — CID 174783871

IUPACarsoric acid;benzene-1,4-diamine
SMILESNc1ccc(N)cc1.O=[As](O)(O)O
InChIInChI=1S/C6H8N2.AsH3O4/c7-5-1-2-6(8)4-3-5;2-1(3,4)5/h1-4H,7-8H2;(H3,2,3,4,5)
InChIKeyCPRNPNPDYIVALR-UHFFFAOYSA-N
MW250.09 g/mol
LogP-1.32
Rot. Bonds

About arsoric acid;benzene-1,4-diamine

arsoric acid;benzene-1,4-diamine (PubChem CID 174783871) has the molecular formula C6H11AsN2O4 and a molecular weight of 250.09 g/mol. Its IUPAC name is arsoric acid;benzene-1,4-diamine.

Molecular Properties

Compound Namearsoric acid;benzene-1,4-diamine
PubChem CID174783871
Molecular FormulaC6H11AsN2O4
Molecular Weight250.09 g/mol
Exact Mass249.99
IUPAC Namearsoric acid;benzene-1,4-diamine
SMILESNc1ccc(N)cc1.O=[As](O)(O)O
InChIInChI=1S/C6H8N2.AsH3O4/c7-5-1-2-6(8)4-3-5;2-1(3,4)5/h1-4H,7-8H2;(H3,2,3,4,5)
InChIKeyCPRNPNPDYIVALR-UHFFFAOYSA-N
XLogP-1.32
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

arsoric acid;tris(4-nitroaniline)
CID 175201940
[amino-(4-aminophenyl)methylidene]azanium
CID 3289295
benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
(4-aminophenyl)arsonic acid;4-dichloroarsanylaniline
CID 159267951
sodium;[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid;hydride
CID 173022794
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
CID 23725018
CID 23725018
benzene-1,4-diamine;ethane;methane
CID 159498580
4-aminobenzenecarbothioic S-acid
CID 18539755
4-aminobenzoic acid;hydrofluoride
CID 159690577
bis(1-(4-aminophenyl)ethanone);yttrium
CID 58212341

Frequently Asked Questions

What is the IUPAC name of arsoric acid;benzene-1,4-diamine?
The IUPAC name of arsoric acid;benzene-1,4-diamine (CID 174783871) is arsoric acid;benzene-1,4-diamine.
What is the SMILES notation for arsoric acid;benzene-1,4-diamine?
The canonical SMILES for arsoric acid;benzene-1,4-diamine is Nc1ccc(N)cc1.O=[As](O)(O)O.
What is the InChIKey of arsoric acid;benzene-1,4-diamine?
The InChIKey is CPRNPNPDYIVALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.AsH3O4/c7-5-1-2-6(8)4-3-5;2-1(3,4)5/h1-4H,7-8H2;(H3,2,3,4,5).
What are the key properties of arsoric acid;benzene-1,4-diamine?
arsoric acid;benzene-1,4-diamine has a molecular weight of 250.09 g/mol, XLogP of -1.32, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for arsoric acid;benzene-1,4-diamine is sourced from PubChem (CID 174783871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).