(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
Basic information
- CAS
400877-11-4- Standard SMILES
Cc1nn(-c2ccccc2)c(C)c1CN- InChIKey
OBCGZRPPRQGJNF-UHFFFAOYSA-N- Molecular formula
- C12H15N3
- Average molar mass
- 201.27 g/mol
- Monoisotopic mass
- 201.12659749
Names & identifiers
- Preferred name
- (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
- IUPAC
- (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine
- English name
- (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
- Molecular formula
- C12H15N3
- Molecular weight
- 201.27
Names & synonyms
(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methanamine400877-11-4RefChem:399387844-127-7879896-52-3(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylamine(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamineC-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-methylamine[(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methyl]amine(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylamine hydrochlorideMFCD02055795
Show more names
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-methanamine
(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamineMLS000764827CHEMBL1869939DTXSID90355955HMS2701M24ALBB-009329ARA87711SBB007019
Database identifiers
- CAS
400877-11-4、879896-52-3- PubChem CID
- 818484
- DTXSID
DTXSID90355955- ChEMBL
CHEMBL1869939- EC Number
- 844-127-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
Solubility>30.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 345 · 345.0±37.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 8.94 · 8.94±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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