1-ethyl-1H-pyrazol-5-amine

• ChemBase ID: 53062
• Molecular Formular: C5H9N3
• Molecular Mass: 111.14506
• Monoisotopic Mass: 111.0796473
• SMILES: c1(ccnn1CC)N
• Canonical SMILES: CCn1nccc1N
• InChI: InChI=1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
• InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-ethylpyrazol-3-amine
• Synonyms: 1-Ethyl-1H-pyrazol-5-amine; 1-Ethyl-1H-pyrazol-5-amine; 5-Amino-1-ethyl-1H-pyrazole; 5-Amino-1-Ethylpyrazole; 5-Amino-1-ethylpyrazole; 5-氨基-1-乙基吡唑

Database IDs

• CAS Number: 3528-58-3
• MDL Number: MFCD00010849
• PubChem SID: 162057825; 24857809
• PubChem CID: 337310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.01449982
• LogD (pH = 7.4): 0.018231101
• Log P: 0.018278884
• Molar Refractivity: 43.6637 cm^3
• Polarizability: 11.875834 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 57°C; 52-57 °C(lit.); 52-57°C
• Boiling Point: 92-94 °C/0.01 mmHg(lit.); 92-94°C/0.01mm
• Flash Point: 113 °C; 113°C; 235.4 °F
• Hydrophobicity(logP): 0.0010

Safety Information

• Storage Warning: IRRITANT; Irritant/Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 99%
• Empirical Formula (Hill Notation): C5H9N3

DETAILS

Sigma Aldrich - 295760

Packaging
1, 5 g in glass bottle