(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
Basic information
- CAS
1006458-74-7- Standard SMILES
CCCn1nc(C)c(CN)c1C- InChIKey
FBVYPJIXOJSHCX-UHFFFAOYSA-N- Molecular formula
- C9H17N3
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.14224756
Names & identifiers
- Preferred name
- (3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
- IUPAC
- (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine
- English name
- AKOS B021210
- Molecular formula
- C9H17N3
- Molecular weight
- 167.25
Names & synonyms
1006458-74-7(3,5-DIMETHYL-1-PROPYL-1H-PYRAZOL-4-YL)METHYLAMINE[(3,5-Dimethyl-1-propyl-1h-pyrazol-4-yl)methyl]amine hydrochloride(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine1-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methanamine hydrochloride(3,5-dimethyl-1-propylpyrazol-4-yl)methylamineAKOS B021210ALBB-012394MFCD04970265SBB022378AKOS000310410BS-36980
Show more names
AKOS PAO-0199ART-CHEM-BB B0212101H-Pyrazole-4-methanamine, 3,5-dimethyl-1-propyl-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methanamine1-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methanamine(3,5-Dimethyl-1-propyl-1H-pyrazol-4-yl)methanamine hydrochloride1-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methanamine(SALTDATA: 1.5HCl 1H2O)
ST45134155EN300-229820(3,5-dimethyl-1-propyl-pyrazol-4-yl)methanamine
Database identifiers
- CAS
1006458-74-7- PubChem CID
- 19620896
- EC Number
- 177-603-1
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 278.5 · 278.5±35.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.29(Predicted)
- 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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)
Safety data
- hazard_class
- IRRITANT
Suppliers
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Compound notes
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