2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate

C18H28ClN3O7 — CID 71382500

IUPAC2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
SMILESCCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H28N3O3.ClHO4/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;2-1(3,4)5/h13-14H,3-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyLVNVSCSWCZONQA-UHFFFAOYSA-M
MW433.89 g/mol
LogP-0.39
Rot. Bonds9

About 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate

2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate (PubChem CID 71382500) has the molecular formula C18H28ClN3O7 and a molecular weight of 433.89 g/mol. Its IUPAC name is 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate.

Molecular Properties

Compound Name2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
PubChem CID71382500
Molecular FormulaC18H28ClN3O7
Molecular Weight433.89 g/mol
Exact Mass433.16
IUPAC Name2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
SMILESCCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H28N3O3.ClHO4/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;2-1(3,4)5/h13-14H,3-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyLVNVSCSWCZONQA-UHFFFAOYSA-M
XLogP-0.39
TPSA151.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
CID 157391269
2,5-dibutoxy-4-morpholin-4-ylaniline sulfate
CID 6366686
2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid
CID 3025701
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478
4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride
CID 73011068
2-butoxy-5-methyl-4-morpholin-4-ylbenzonitrile
CID 59960010
2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 21118152
bis(5-butan-2-yloxy-2-methoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 88818752
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
CID 159987480
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
4-(3,6-dibutoxy-2-nitrophenyl)morpholine
CID 14047752
2-butoxy-5-morpholin-4-ylbenzoic acid
CID 70668670

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate?
The IUPAC name of 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate (CID 71382500) is 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate.
What is the SMILES notation for 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate?
The canonical SMILES for 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate is CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate?
The InChIKey is LVNVSCSWCZONQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H28N3O3.ClHO4/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;2-1(3,4)5/h13-14H,3-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate?
2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate has a molecular weight of 433.89 g/mol, XLogP of -0.39, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate is sourced from PubChem (CID 71382500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).