2-(1-methyl-1H-pyrazol-4-yl)propan-2-amine
Basic information
- CAS
1215936-45-0- Standard SMILES
Cn1cc(C(C)(C)N)cn1- InChIKey
OSXSDUMYPXFKCT-UHFFFAOYSA-N- Molecular formula
- C7H13N3
- Average molar mass
- 139.2 g/mol
- Monoisotopic mass
- 139.11094743
Names & identifiers
- Preferred name
- 2-(1-methyl-1H-pyrazol-4-yl)propan-2-amine
- IUPAC
- 2-(1-methylpyrazol-4-yl)propan-2-amine
- English name
- 1-Methyl-1-(1-methyl-1H-pyrazol-4-yl)-ethylamine
- Molecular formula
- C7H13N3
- Molecular weight
- 139.2
Names & synonyms
2-(1-methyl-1H-pyrazol-4-yl)propan-2-amine1215936-45-0RefChem:451082817-735-52-(1-methylpyrazol-4-yl)propan-2-amineSCHEMBL19815546QYB93645MFCD11899126AKOS0081482302-(1-Methyl-4-pyrazolyl)-2-propanamineSY193240CS-0091430
Show more names
1H-Pyrazole-4-methanamine, α,α,1-trimethyl-1-Methyl-1-(1-methyl-1H-pyrazol-4-yl)-ethylamine
EN300-85431D75140Z839139608
Database identifiers
- CAS
1215936-45-0- PubChem CID
- 54595161
- EC Number
- 817-735-5
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 233.2 · 233.2±15.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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