Home > Compound List > Compound details
56559-62-7 molecular structure
click picture or here to close

1-methyl-1H-indole-3-carbohydrazide

ChemBase ID: 27276
Molecular Formular: C10H11N3O
Molecular Mass: 189.21384
Monoisotopic Mass: 189.09021199
SMILES and InChIs

SMILES:
c1(cn(c2c1cccc2)C)C(=O)NN
Canonical SMILES:
NNC(=O)c1cn(c2c1cccc2)C
InChI:
InChI=1S/C10H11N3O/c1-13-6-8(10(14)12-11)7-4-2-3-5-9(7)13/h2-6H,11H2,1H3,(H,12,14)
InChIKey:
KMYZDVOJRUTMEA-UHFFFAOYSA-N

Cite this record

CBID:27276 http://www.chembase.cn/molecule-27276.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-indole-3-carbohydrazide
IUPAC Traditional name
1-methylindole-3-carbohydrazide
Synonyms
1-Methyl-1H-indole-3-carbohydrazide
CAS Number
56559-62-7
MDL Number
MFCD02585614
PubChem SID
160990583
PubChem CID
819866

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 819866 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.640441  H Acceptors
H Donor LogD (pH = 5.5) 0.84904367 
LogD (pH = 7.4) 0.8498383  Log P 0.84984845 
Molar Refractivity 55.6037 cm3 Polarizability 21.562628 Å3
Polar Surface Area 60.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
154 - 156°C expand Show data source
Hydrophobicity(logP)
0.941 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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