1H-indazol-6-amine

• ChemBase ID: 63420
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c12cn[nH]c1cc(cc2)N
• Canonical SMILES: Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)
• InChIKey: KEJFADGISRFLFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-6-amine
• IUPAC Traditional name: 6-aminoindazole
• Synonyms: 6-Aminoindazole; 6-AMINOINDAZOLE; 1H-Indazol-6-amine; 1H-Indazol-6-amine; 6-Amino-1H-indazole; 6-氨基吲唑

Database IDs

• CAS Number: 408335-40-0; 6967-12-0
• EC Number: 230-177-1
• MDL Number: MFCD00005696
• PubChem SID: 24891041; 162029159
• PubChem CID: 81423

CALCULATED PROPERTIES

• Acid pKa: 14.256839
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.46336368
• LogD (pH = 7.4): 0.46733087
• Log P: 0.46738175
• Molar Refractivity: 40.7735 cm^3
• Polarizability: 15.797645 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204-206 °C (dec.)(lit.); 204-206(dec.)°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• RTECS: NK7712000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C7H7N3

DETAILS

MP Biomedicals - 05220174

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A59565

Packaging
5, 25 g in glass bottle