benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine

C26H54N8O8 — CID 173409428

IUPACbenzene-1,2,4,5-tetracarboxylic acid;butylhydrazine
SMILESCCCCNN.CCCCNN.CCCCNN.CCCCNN.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H6O8.4C4H12N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-3-4-6-5/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*6H,2-5H2,1H3
InChIKeyNHRWWNXHXWKARO-UHFFFAOYSA-N
MW606.77 g/mol
LogP1.48
Rot. Bonds16

About benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine

benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine (PubChem CID 173409428) has the molecular formula C26H54N8O8 and a molecular weight of 606.77 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylic acid;butylhydrazine
PubChem CID173409428
Molecular FormulaC26H54N8O8
Molecular Weight606.77 g/mol
Exact Mass606.41
IUPAC Namebenzene-1,2,4,5-tetracarboxylic acid;butylhydrazine
SMILESCCCCNN.CCCCNN.CCCCNN.CCCCNN.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H6O8.4C4H12N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-3-4-6-5/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*6H,2-5H2,1H3
InChIKeyNHRWWNXHXWKARO-UHFFFAOYSA-N
XLogP1.48
TPSA301.40 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 51.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
butylhydrazine;octadecanoic acid
CID 159234519
4,5-dibutylphthalic acid
CID 57316661
2-(butylamino)-5-methylbenzoic acid
CID 18802498
2-anilinoacetic acid;pentylhydrazine
CID 174942831
CID 70563593
CID 70563593
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
disodium;hydride;4-(octadecylamino)phthalic acid
CID 173436472
decane;phthalic acid
CID 158763790
2-(butylcarbamoyl)-5-nitrobenzoic acid
CID 110839262
4-(dioctylamino)phthalic acid
CID 20818058
4,6-bis[(tetrabutyl-λ5-phosphanyl)oxycarbonyl]benzene-1,3-dicarboxylic acid
CID 155760375

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine?
The IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine (CID 173409428) is benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine.
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine is CCCCNN.CCCCNN.CCCCNN.CCCCNN.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.
What is the InChIKey of benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine?
The InChIKey is NHRWWNXHXWKARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.4C4H12N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-3-4-6-5/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*6H,2-5H2,1H3.
What are the key properties of benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine?
benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine has a molecular weight of 606.77 g/mol, XLogP of 1.48, 16 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine is sourced from PubChem (CID 173409428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).