Home > Compound List > Compound details
7022-37-9 molecular structure
click picture or here to close

2-hydrazinyl-1-methyl-1H-1,3-benzodiazole

ChemBase ID: 120838
Molecular Formular: C8H10N4
Molecular Mass: 162.1918
Monoisotopic Mass: 162.09054634
SMILES and InChIs

SMILES:
c1(nc2c(n1C)cccc2)NN
Canonical SMILES:
NNc1nc2c(n1C)cccc2
InChI:
InChI=1S/C8H10N4/c1-12-7-5-3-2-4-6(7)10-8(12)11-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey:
LKMYQGVYVQZJST-UHFFFAOYSA-N

Cite this record

CBID:120838 http://www.chembase.cn/molecule-120838.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydrazinyl-1-methyl-1H-1,3-benzodiazole
IUPAC Traditional name
2-hydrazinyl-1-methyl-1,3-benzodiazole
Synonyms
2-hydrazinyl-1-methyl-1H-benzo[d]imidazole
2-hydrazino-1-methyl-1H-benzimidazole
(1-Methyl-1H-benzoimidazol-2-yl)-hydrazine
CAS Number
7022-37-9
MDL Number
MFCD00778770
PubChem SID
162215191
PubChem CID
1522265

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1522265 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.78100646  LogD (pH = 7.4) 1.5272686 
Log P 1.5590727  Molar Refractivity 49.0452 cm3
Polarizability 18.979082 Å3 Polar Surface Area 55.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
69 - 71°C expand Show data source
Hydrophobicity(logP)
1.726 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle