Basic information
- CAS
1339906-24-9- Standard SMILES
Cn1nc(-c2cn[nH]c2)cc1N- InChIKey
KBAJVRLUGAAFLU-UHFFFAOYSA-N- Molecular formula
- C7H9N5
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.08579531
Names & identifiers
- Preferred name
- 1-methyl-1H,1'H-[3,4'-bipyrazol]-5-amine
- IUPAC
- 1-methyl-3-(1H-pyrazol-4-yl)pyrazol-5-amine
Names & synonyms
1339906-24-91-Methyl-1h,1'h-[3,4'-bipyrazol]-5-amine1-methyl-1H,1'H-(3,4'-bipyrazol)-5-amineRefChem:433724894-315-81-METHYL-3-(1H-PYRAZOL-4-YL)-1H-PYRAZOL-5-AMINEAKOS012381042CS-0283828EN300-1149041
Database identifiers
- CAS
1339906-24-9- PubChem CID
- 135969080
- EC Number
- 894-315-8
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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