4-(3,5-dimethyl-1H-pyrazol-1-yl)benzylamine
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Basic information
- CAS
930111-11-8- Standard SMILES
Cc1cc(C)n(-c2ccc(CN)cc2)n1- InChIKey
PARNNKGLJSIUFI-UHFFFAOYSA-N- Molecular formula
- C12H15N3
- Average molar mass
- 201.27 g/mol
- Monoisotopic mass
- 201.12659749
Overview
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamine is a member of pyrazoles and a ring assembly.
Names & identifiers
- Preferred name
- 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzylamine
- IUPAC
- [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
- English name
- 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamine 97%
- Molecular formula
- C12H15N3
- Molecular weight
- 201.27
Names & synonyms
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamineRefChem:512906805-997-3930111-11-8(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)methanamine[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanamineMFCD049710821-(4-Aminomethylphenyl)-3,5-dimethylpyrazole[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanamine[4-(3,5-dimethylpyrazolyl)phenyl]methylamineSCHEMBL2288170
Show more names
4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamine97%4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamine 97%4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamine, tech4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzenemethanamineBenzenemethanamine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl]methylamine, 1-[4-(Aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole
DTXSID10586300CHEBI:194734FMB11111SBB022497STK346959AKOS000218469AS-9270ST065626
Properties
Computed structural propertiesFilling in
- 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
- 199
Physicochemical properties
- Boiling point
- 336.9 · 336.9±30.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.02 · 9.02±0.10(Predicted)
- form
- oil
- color
- brown
- CAS DataBase Reference
- 930111 · 930111-11-8
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
- Hazard Codes
- C
- HS Code
- 2933199090 · 2933199090
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, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, 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
- hs_code
- 2933199090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- C
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Chemistry & industry
Additional notes
DefinitionChEBI: 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzylamine is a ring assembly and a member of pyrazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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