Home > Compound List > Compound details
21443-96-9 molecular structure
click picture or here to close

1H-indazol-7-amine

ChemBase ID: 41097
Molecular Formular: C7H7N3
Molecular Mass: 133.15058
Monoisotopic Mass: 133.06399724
SMILES and InChIs

SMILES:
c12[nH]ncc1cccc2N
Canonical SMILES:
Nc1cccc2c1[nH]nc2
InChI:
InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
InChIKey:
OTFFCAGPSWJBDK-UHFFFAOYSA-N

Cite this record

CBID:41097 http://www.chembase.cn/molecule-41097.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-indazol-7-amine
IUPAC Traditional name
1H-indazol-7-amine
Synonyms
7-Amino-1H-indazole
1H-Indazol-7-amine
1H-Indazol-7-amine
7-Amino-1H-indazole
7-氨基吲唑
CAS Number
21443-96-9
EC Number
244-391-8
MDL Number
MFCD20502638
MFCD00022790
PubChem SID
162045860
PubChem CID
88901

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.259691  H Acceptors
H Donor LogD (pH = 5.5) 0.4309381 
LogD (pH = 7.4) 0.46689743  Log P 0.46738175 
Molar Refractivity 40.7735 cm3 Polarizability 15.800579 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
151-153°C expand Show data source
156 - 159 °C expand Show data source
156-159°C expand Show data source
157-163 °C expand Show data source
Density
157-163 expand Show data source
Hydrophobicity(logP)
1.04 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
RTECS
NK7713000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C7H7N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 717096 external link
Packaging
1 g in glass bottle

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