(S)-1-(1H-pyrazol-3-yl)ethanaMine
Basic information
- CAS
1268522-33-3- Standard SMILES
C[C@H](N)c1cc[nH]n1- InChIKey
IVZCHEJTIUBJPM-BYPYZUCNSA-N- Molecular formula
- C5H9N3
- Average molar mass
- 111.15 g/mol
- Monoisotopic mass
- 111.0796473
Names & identifiers
- Preferred name
- (S)-1-(1H-pyrazol-3-yl)ethanaMine
- IUPAC
- (1S)-1-(1H-pyrazol-5-yl)ethanamine
- English name
- (S)-1-(1H-pyrazol-3-yl)ethanaMine
- Molecular formula
- C5H9N3
- Molecular weight
- 111.15
Names & synonyms
(S)-1-(1H-pyrazol-3-yl)ethanaMine1268522-33-3(1S)-1-(1H-pyrazol-5-yl)ethanamine(S)-1-(1H-pyrazol-3-yl)ethan-1-amine(1s)-1-(1h-pyrazol-5-yl)ethan-1-amineSCHEMBL1369329AKOS017386346DB-179489EN300-18368651H-Pyrazole-3-methanamine, α-methyl-, (αS)-
Database identifiers
- CAS
1268522-33-3- PubChem CID
- 25313284
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.1
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
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Compound notes
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