1H-indazol-7-amine
Basic information
- CAS
21443-96-9- Standard SMILES
Nc1cccc2cn[nH]c12- InChIKey
OTFFCAGPSWJBDK-UHFFFAOYSA-N- Molecular formula
- C7H7N3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.06399724
Names & identifiers
- Preferred name
- 1H-indazol-7-amine
- IUPAC
- 1H-indazol-7-amine
- English name
- 1H-Indazol-7-amine
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
1H-Indazol-7-amine21443-96-9NSC 170661BRN 0003640DTXSID10175718EINECS 244-391-8AI3-524414-25-00-02526 (Beilstein Handbook Reference)RefChem:79837DTXCID6098209244-391-87-Amino-1H-indazole
Show more names
1H-Indazol-5-ylamine177-Aminoinazole7-AMINO (1H)INDAZOLE7-Amino-1H-indazole 97%1H-Indazol-7-amine ,97%7-Amino-1H-indazole ,97%
2H-Indazol-7-amine918903-47-67-Aminoindazole1H-Indazol-7-ylamineMFCD000227904b6eSCHEMBL655480CHEMBL463676
Database identifiers
- CAS
21443-96-9- PubChem CID
- 88901
- DTXSID
DTXSID10175718- ChEMBL
CHEMBL463676- EC Number
- 244-391-8
- Nikkaji
- J41.000D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 157 · 157-163 °C
- Boiling point
- 376.6 · 376.6±15.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- RTECS
- 7713000 · NK7713000
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 14.89 · 14.89±0.40(Predicted)
- form
- Crystalline Solid
- color
- Tan
- 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
- SMILES
- Nc1cccc2cn[nH]c12
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 3259
- hs_code
- 29339900
- risk_code
- 34-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1H-Indazol-7-amine is a substituted-indazole, an inhibitor of nitric oxide synthases.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
29 records
Compound notes
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