1,3-dimethyl-1H-pyrazol-4-amine
Basic information
- CAS
64517-88-0- Standard SMILES
Cc1nn(C)cc1N- InChIKey
AXLKRXWNAFFPDB-UHFFFAOYSA-N- Molecular formula
- C5H9N3
- Average molar mass
- 111.15 g/mol
- Monoisotopic mass
- 111.0796473
Names & identifiers
- Preferred name
- 1,3-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1,3-dimethylpyrazol-4-amine
- English name
- 1,3-Dimethyl-1H-pyrazol-4-amine
- Molecular formula
- C5H9N3
- Molecular weight
- 111.15
Names & synonyms
1,3-dimethyl-1H-pyrazol-4-amine64517-88-04-Amino-1,3-dimethylpyrazole1,3-dimethylpyrazol-4-amineMFCD020558261,3-Dimethyl-1H-pyrazol-4-ylamine1,3-dimethylpyrazole-4-ylamine1H-PYRAZOL-4-AMINE, 1,3-DIMETHYL-1,3-Dimethyl-4-aminopyrazole4-Amino-1,3-dimethyl-1H-pyrazoleAKOS PAO-0225SCHEMBL690803
Show more names
EOS-60826TIMTEC-BB SBB0093531,3-Dimethyl-4-aminopyrazole HCl
SCHEMBL6972723AXLKRXWNAFFPDB-UHFFFAOYSA-AKOS B014444AXLKRXWNAFFPDB-UHFFFAOYSA-NART-CHEM-BB B014444ART-CHEM-BB B024887ALBB-003720BBL013092
Database identifiers
- CAS
64517-88-0- PubChem CID
- 4431056
- Nikkaji
- J3.584.948C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 83.7
Physicochemical properties
- Boiling point
- 231.5 · 231.5±20.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.18 · 4.18±0.10(Predicted)
- Appearance
- Brown to black Oil
- InChI
- InChI=1S/C5H9N3/c1-4-5(6)3-8(2)7-4/h3H,6H2,1-2H3
- InChIKey
- AXLKRXWNAFFPDB-UHFFFAOYSA-N
- SMILES
- N1(C)C=C(N)C(C)=N1
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
- 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
- Signal word
- warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
28 records
Compound notes
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