1H-indazol-7-amine

• ChemBase ID: 41097
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 21443-96-9
• EC Number: 244-391-8
• MDL Number: MFCD20502638; MFCD00022790
• PubChem SID: 162045860
• PubChem CID: 88901

CALCULATED PROPERTIES

• Acid pKa: 12.259691
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.4309381
• LogD (pH = 7.4): 0.46689743
• Log P: 0.46738175
• Molar Refractivity: 40.7735 cm^3
• Polarizability: 15.800579 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151-153°C; 156 - 159 °C; 156-159°C; 157-163 °C
• Density: 157-163
• Hydrophobicity(logP): 1.04

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: NK7713000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26; 26-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

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

DETAILS

Sigma Aldrich - 717096

Packaging
1 g in glass bottle