2-Methyl-2H-indazol-6-amine

HCID 590220

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Basic information

CAS: 50593-30-1
Standard SMILES: Cn1cc2ccc(N)cc2n1
InChIKey: MHCWLERQNFATHZ-UHFFFAOYSA-N
Molecular formula: C8H9N3
Average molar mass: 147.18 g/mol
Monoisotopic mass: 147.0796473

Names & identifiers

Preferred name: 2-Methyl-2H-indazol-6-amine
IUPAC: 2-methylindazol-6-amine
English name: 6-Amino-2-methyl-2H-indazole
Molecular formula: C8H9N3
Molecular weight: 147.18

Names & synonyms

2-Methyl-2H-indazol-6-amine50593-30-1DTXSID10343516RefChem:475253DTXCID70294595640-917-96-Amino-2-methyl-2H-indazole2-methylindazol-6-amineMFCD004648662-Methyl-2H-indazol-6-ylamineMLS0006876216-AMINO-2-METHYLINDAZOLE

Show more names

2-Methyl-2H-indazole-6-amine6-aMine-2-Methyl-2H-indazole6-Amino-2-methyl-2H-indaz...2H-Indazol-6-amine, 2-methyl-6-AMINO-2-METHYLBENZO[C]PYRAZOLE

2-methyl-6-indazolamine6-amino-2-methyl-indazoleOprea1_680225Oprea1_807157cid_590220SCHEMBL1489105HMS1675M16SMR000283391

Database identifiers

CAS: 50593-30-1
PubChem CID: 590220
DTXSID: DTXSID10343516
ChEMBL: CHEMBL1421438
EC Number: 640-917-9
Nikkaji: J2.394.961J

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 148

Experimental & physicochemical properties

Solubility<0.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 148 · 148-150
Boiling point: 354.8 · 354.8±15.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.31 · 3.31±0.10(Predicted)
form: Crystalline Powder
color: Yellow to green
InChI: InChI=1S/C8H9N3/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,9H2,1H3
InChIKey: MHCWLERQNFATHZ-UHFFFAOYSA-N
SMILES: N1=C2C(C=CC(N)=C2)=CN1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 29339980 · 29339980

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.