4-hexadecylbenzenediazonium chloride

C22H37ClN2 — CID 88673679

IUPAC4-hexadecylbenzenediazonium chloride
SMILESCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1.[Cl-]
InChIInChI=1S/C22H37N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(24-23)20-18-21;/h17-20H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyWQPJAMIQLVQTFB-UHFFFAOYSA-M
MW365.01 g/mol
LogP5.20
Rot. Bonds15

About 4-hexadecylbenzenediazonium chloride

4-hexadecylbenzenediazonium chloride (PubChem CID 88673679) has the molecular formula C22H37ClN2 and a molecular weight of 365.01 g/mol. Its IUPAC name is 4-hexadecylbenzenediazonium chloride.

Molecular Properties

Compound Name4-hexadecylbenzenediazonium chloride
PubChem CID88673679
Molecular FormulaC22H37ClN2
Molecular Weight365.01 g/mol
Exact Mass364.26
IUPAC Name4-hexadecylbenzenediazonium chloride
SMILESCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1.[Cl-]
InChIInChI=1S/C22H37N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(24-23)20-18-21;/h17-20H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyWQPJAMIQLVQTFB-UHFFFAOYSA-M
XLogP5.20
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.01
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-icosylbenzenediazonium;zinc;dichloride
CID 161323035
1-butyl-4-nonylbenzene
CID 59545302
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-nonadec-18-enylbenzenediazonium
CID 88673652
1-methyl-4-octylbenzene
CID 11052746
CID 59759292
CID 59759292
(4-undecylphenyl)methanethiol
CID 152658546
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602

Frequently Asked Questions

What is the IUPAC name of 4-hexadecylbenzenediazonium chloride?
The IUPAC name of 4-hexadecylbenzenediazonium chloride (CID 88673679) is 4-hexadecylbenzenediazonium chloride.
What is the SMILES notation for 4-hexadecylbenzenediazonium chloride?
The canonical SMILES for 4-hexadecylbenzenediazonium chloride is CCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1.[Cl-].
What is the InChIKey of 4-hexadecylbenzenediazonium chloride?
The InChIKey is WQPJAMIQLVQTFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H37N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(24-23)20-18-21;/h17-20H,2-16H2,1H3;1H/q+1;/p-1.
What are the key properties of 4-hexadecylbenzenediazonium chloride?
4-hexadecylbenzenediazonium chloride has a molecular weight of 365.01 g/mol, XLogP of 5.20, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecylbenzenediazonium chloride is sourced from PubChem (CID 88673679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).