4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride

C9H12ClN3Zn — CID 88518290

IUPAC4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride
SMILESCc1cc(N(C)C)ccc1[N+]#N.[Cl-].[Zn]
InChIInChI=1S/C9H12N3.ClH.Zn/c1-7-6-8(12(2)3)4-5-9(7)11-10;;/h4-6H,1-3H3;1H;/q+1;;/p-1
InChIKeyAUHQFTLEDHKNSI-UHFFFAOYSA-M
MW263.06 g/mol
LogP-0.45
Rot. Bonds1

About 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride

4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride (PubChem CID 88518290) has the molecular formula C9H12ClN3Zn and a molecular weight of 263.06 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride
PubChem CID88518290
Molecular FormulaC9H12ClN3Zn
Molecular Weight263.06 g/mol
Exact Mass261.00
IUPAC Name4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride
SMILESCc1cc(N(C)C)ccc1[N+]#N.[Cl-].[Zn]
InChIInChI=1S/C9H12N3.ClH.Zn/c1-7-6-8(12(2)3)4-5-9(7)11-10;;/h4-6H,1-3H3;1H;/q+1;;/p-1
InChIKeyAUHQFTLEDHKNSI-UHFFFAOYSA-M
XLogP-0.45
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride
CID 91496119
N,N,3,4-tetramethylaniline
CID 12595466
zinc;4-(dimethylamino)-2,6-dimethylbenzenediazonium;trichloride
CID 173417250
2-diazonio-5-(dimethylamino)benzoate
CID 172813692
5-(dimethylamino)-2-methoxybenzenediazonium
CID 57013987
zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride
CID 173416980
2-methyl-4-[methyl(propyl)amino]benzenediazonium;trifluoromethanesulfonate
CID 90772269
3-iodo-N,N,4-trimethylaniline
CID 68650106
(4-isocyano-3-methylphenyl)-methylcarbamic acid
CID 88837202
4-(chloromethyl)-N,N,3-trimethylaniline
CID 62130656
3-chloro-N,N,4-trimethylaniline
CID 12637287
1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103388013

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride?
The IUPAC name of 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride (CID 88518290) is 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride.
What is the SMILES notation for 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride?
The canonical SMILES for 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride is Cc1cc(N(C)C)ccc1[N+]#N.[Cl-].[Zn].
What is the InChIKey of 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride?
The InChIKey is AUHQFTLEDHKNSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N3.ClH.Zn/c1-7-6-8(12(2)3)4-5-9(7)11-10;;/h4-6H,1-3H3;1H;/q+1;;/p-1.
What are the key properties of 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride?
4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride has a molecular weight of 263.06 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride is sourced from PubChem (CID 88518290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).