(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
Basic information
- CAS
423768-52-9- Standard SMILES
Cc1cc(CN)nn1C- InChIKey
JGYXJOBBROGMLL-UHFFFAOYSA-N- Molecular formula
- C6H11N3
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.09529736
Names & identifiers
- Preferred name
- (1,5-dimethyl-1H-pyrazol-3-yl)methanamine
- IUPAC
- (1,5-dimethylpyrazol-3-yl)methanamine
- English name
- (1,5-Dimethyl-1H-pyrazol-3-yl)methylamine
- Molecular formula
- C6H11N3
- Molecular weight
- 125.17
Names & synonyms
(1,5-Dimethyl-1H-pyrazol-3-yl)methanamineRefChem:391470813-433-2423768-52-93-(AMINOMETHYL)-1,5-DIMETHYLPYRAZOLE(1,5-Dimethyl-1H-pyrazol-3-yl)methylamine(1,5-dimethylpyrazol-3-yl)methanamineMFCD034225311-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine3-Aminomethyl-1,5-dimethyl-1H-pyrazole(1,5-dimethylpyrazol-3-yl)methylamine1H-Pyrazole-3-methanamine,1,5-dimethyl-
Show more names
AKOS B014394AKOS PAO-0907BUTTPARK 147\11-05ART-CHEM-BB B014394ART-CHEM-BB B0160423-(Aminomethyl)-1,5-dimethyl-1H-pyrazole1H-Pyrazole-3-methanamine, 1,5-dimethyl-
SCHEMBL597466SCHEMBL4705072CHEMBL4560352DTXSID50380021JGYXJOBBROGMLL-UHFFFAOYSA-NSBB020887AKOS000305130PB29261
Database identifiers
- CAS
423768-52-9- PubChem CID
- 2776367
- DTXSID
DTXSID50380021- ChEMBL
CHEMBL4560352- EC Number
- 813-433-2
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.3
Physicochemical properties
- Boiling point
- 94 °C · 94 °C
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.26 · 8.26±0.29(Predicted)
- form
- liquid
- color
- Colourless to light yellow
- InChI
- 1S/C6H11N3/c1-5-3-6(4-7)8-9(5)2/h3H,4,7H2,1-2H3
- InChIKey
- JGYXJOBBROGMLL-UHFFFAOYSA-N
- SMILES
- Cc1cc(CN)nn1C
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- C
- WGK Germany
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…