1-(diazomethyl)-2-(trideuteriomethyl)benzene

C8H8N2 — CID 12764493

IUPAC1-(diazomethyl)-2-(trideuteriomethyl)benzene
SMILES[2H]C([2H])([2H])c1ccccc1C=[N+]=[N-]
InChIInChI=1S/C8H8N2/c1-7-4-2-3-5-8(7)6-10-9/h2-6H,1H3/i1D3
InChIKeySATZKZRGXNAHHL-FIBGUPNXSA-N
MW135.18 g/mol
LogP1.64
Rot. Bonds2

About 1-(diazomethyl)-2-(trideuteriomethyl)benzene

1-(diazomethyl)-2-(trideuteriomethyl)benzene (PubChem CID 12764493) has the molecular formula C8H8N2 and a molecular weight of 135.18 g/mol. Its IUPAC name is 1-(diazomethyl)-2-(trideuteriomethyl)benzene.

Molecular Properties

Compound Name1-(diazomethyl)-2-(trideuteriomethyl)benzene
PubChem CID12764493
Molecular FormulaC8H8N2
Molecular Weight135.18 g/mol
Exact Mass135.09
IUPAC Name1-(diazomethyl)-2-(trideuteriomethyl)benzene
SMILES[2H]C([2H])([2H])c1ccccc1C=[N+]=[N-]
InChIInChI=1S/C8H8N2/c1-7-4-2-3-5-8(7)6-10-9/h2-6H,1H3/i1D3
InChIKeySATZKZRGXNAHHL-FIBGUPNXSA-N
XLogP1.64
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(diazomethyl)-2-[(E)-1,2-dichloroethenoxy]benzene
CID 102039012
CID 67680626
CID 67680626
2-[2-(diazomethyl)phenyl]propanedioic acid
CID 150188197
bis(diazomethylbenzene);hydrate
CID 21319266
N-(diazomethyl)-N,2-dimethylaniline
CID 160817803
ethane;N-methyl-1-(2-methylphenyl)methanimine
CID 91511735
2,6-bis(trideuteriomethyl)aniline
CID 45039069
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
methyl (E)-2-benzyl-3-[2-(diazomethyl)phenyl]prop-2-enoate
CID 138982955
2,6-bis(trideuteriomethyl)aniline;hydrochloride
CID 163322682
[4-(diazomethyl)phenyl]-phenylmethanone
CID 53231721
1-(diazomethyl)pyrene
CID 161167887

Frequently Asked Questions

What is the IUPAC name of 1-(diazomethyl)-2-(trideuteriomethyl)benzene?
The IUPAC name of 1-(diazomethyl)-2-(trideuteriomethyl)benzene (CID 12764493) is 1-(diazomethyl)-2-(trideuteriomethyl)benzene.
What is the SMILES notation for 1-(diazomethyl)-2-(trideuteriomethyl)benzene?
The canonical SMILES for 1-(diazomethyl)-2-(trideuteriomethyl)benzene is [2H]C([2H])([2H])c1ccccc1C=[N+]=[N-].
What is the InChIKey of 1-(diazomethyl)-2-(trideuteriomethyl)benzene?
The InChIKey is SATZKZRGXNAHHL-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H8N2/c1-7-4-2-3-5-8(7)6-10-9/h2-6H,1H3/i1D3.
What are the key properties of 1-(diazomethyl)-2-(trideuteriomethyl)benzene?
1-(diazomethyl)-2-(trideuteriomethyl)benzene has a molecular weight of 135.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)-2-(trideuteriomethyl)benzene is sourced from PubChem (CID 12764493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).