zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride

C10H14Cl3N3Zn — CID 173416980

IUPACzinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride
SMILESCc1cc(N(C)C)c(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14N3.3ClH.Zn/c1-7-6-10(13(3)4)8(2)5-9(7)12-11;;;;/h5-6H,1-4H3;3*1H;/q+1;;;;+2/p-3
InChIKeyQMMLXBJGMGIGEP-UHFFFAOYSA-K
MW347.99 g/mol
LogP-6.14
Rot. Bonds1

About zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride

zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride (PubChem CID 173416980) has the molecular formula C10H14Cl3N3Zn and a molecular weight of 347.99 g/mol. Its IUPAC name is zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride.

Molecular Properties

Compound Namezinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride
PubChem CID173416980
Molecular FormulaC10H14Cl3N3Zn
Molecular Weight347.99 g/mol
Exact Mass344.95
IUPAC Namezinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride
SMILESCc1cc(N(C)C)c(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14N3.3ClH.Zn/c1-7-6-10(13(3)4)8(2)5-9(7)12-11;;;;/h5-6H,1-4H3;3*1H;/q+1;;;;+2/p-3
InChIKeyQMMLXBJGMGIGEP-UHFFFAOYSA-K
XLogP-6.14
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.99
LogP ≤ 5-6.14
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;zinc;chloride
CID 88518290
zinc;4-(dimethylamino)-2,6-dimethylbenzenediazonium;trichloride
CID 173417250
2,5-dimethylbenzenediazonium chloride
CID 12583461
N,N,2,5-tetramethyl-4-methylsulfanylaniline
CID 101099508
4-(dimethylamino)-2,5-dimethoxybenzenediazonium;zinc;chloride;hydrochloride
CID 173365483
4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride
CID 91496119
2-[bis[2,5-bis(dimethylamino)-4-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,5-pentamethylbenzene-1,4-diamine
CID 88962944
5-chloro-N,N,2,4-tetramethylaniline
CID 11959023
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
2-(dimethylamino)benzenediazonium tetrafluoroborate
CID 88706755
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
5-bromo-4-methoxy-2-methylbenzenediazonium
CID 87141398

Frequently Asked Questions

What is the IUPAC name of zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride?
The IUPAC name of zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride (CID 173416980) is zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride.
What is the SMILES notation for zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride?
The canonical SMILES for zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride is Cc1cc(N(C)C)c(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride?
The InChIKey is QMMLXBJGMGIGEP-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14N3.3ClH.Zn/c1-7-6-10(13(3)4)8(2)5-9(7)12-11;;;;/h5-6H,1-4H3;3*1H;/q+1;;;;+2/p-3.
What are the key properties of zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride?
zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride has a molecular weight of 347.99 g/mol, XLogP of -6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-(dimethylamino)-2,5-dimethylbenzenediazonium;trichloride is sourced from PubChem (CID 173416980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).