N-methyl-2-(1H-pyrazol-4-yl)ethanamine
Basic information
- CAS
956949-79-4- Standard SMILES
CNCCc1cn[nH]c1- InChIKey
XTWUIUOKJXWWOJ-UHFFFAOYSA-N- Molecular formula
- C6H11N3
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.09529736
Names & identifiers
- Preferred name
- N-methyl-2-(1H-pyrazol-4-yl)ethanamine
- IUPAC
- N-methyl-2-(1H-pyrazol-4-yl)ethanamine
- English name
- Methyl-[2-(1H-pyrazol-4-yl)-ethyl]-amine
- Molecular formula
- C6H11N3
- Molecular weight
- 125.17
Names & synonyms
956949-79-4N-methyl-2-(1H-pyrazol-4-yl)ethanamineMethyl-[2-(1H-pyrazol-4-yl)-ethyl]-amineN-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]amineMFCD06751858N-methyl-2-(1H-pyrazol-4-yl)ethan-1-aminemethyl[2-(1H-pyrazol-4-yl)ethyl]aminemethyl(2-pyrazol-4-ylethyl)amineSCHEMBL12235364DTXSID50390241ALBB-006775SBB025640
Show more names
Reaxys ID: 15813448ASINEX-REAG BAS 101553221H-Pyrazole-4-ethanamine, N-methyl-N-methyl-2-(1H-pyrazol-4-yl)ethanamine(SALTDATA: FREE)
SBB303169AKOS000265371BS-36311CS-0312920ST50289633H24227F059228N-methyl-2-(1H-pyrazol-4-yl)ethan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
956949-79-4- PubChem CID
- 3159693
- DTXSID
DTXSID50390241
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74.7
Physicochemical properties
- Boiling point
- 270.7 · 270.7±15.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 14.67 · 14.67±0.50(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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