3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine
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Basic information
- CAS
1000802-71-0- Standard SMILES
Cc1nn(CCCN)cc1Br- InChIKey
PXLXYGZGMUHEBV-UHFFFAOYSA-N- Molecular formula
- C7H12BrN3
- Average molar mass
- 218.09 g/mol
- Monoisotopic mass
- 217.02146
Names & identifiers
- Preferred name
- 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine
- IUPAC
- 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine
- English name
- 3-(4-BROMO-3-METHYL-PYRAZOL-1-YL)-PROPYLAMINE
- Molecular formula
- C7H12BrN3
- Molecular weight
- 218.09
Names & synonyms
1000802-71-03-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine3-(4-Bromo-3-methyl-pyrazol-1-yl)-propylamineMFCD034225553-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine3-(4-bromo-3-methyl-pyrazol-1-yl)propan-1-amine1H-Pyrazole-1-propanamine, 4-bromo-3-methyl-3-(4-bromo-3-methylpyrazolyl)propylamine4-bromo-3-methyl-1H-Pyrazole-1-propanamineSCHEMBL1850133DTXSID401265346SBB020903
Show more names
AKOS B014427ART-CHEM-BB B014427
AKOS000305141FS-1947DB-117863ST45091608EN300-228694
Database identifiers
- CAS
1000802-71-0- PubChem CID
- 7019308
- DTXSID
DTXSID401265346
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 298.9 · 298.9±30.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 9 · 9+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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