2-(1-methyl-1H-indazol-3-yl)ethan-1-amine
Basic information
- CAS
181144-25-2- Standard SMILES
Cn1nc(CCN)c2ccccc21- InChIKey
XKHBXALMWBBDAN-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- 2-(1-methyl-1H-indazol-3-yl)ethan-1-amine
- IUPAC
- 2-(1-methylindazol-3-yl)ethanamine
- English name
- 2-(1-Methyl-1H-indazol-3-yl)ethanamine
- Molecular formula
- C10H13N3
- Molecular weight
- 175.23
Names & synonyms
181144-25-22-(1-methyl-1H-indazol-3-yl)ethan-1-amineRefChem:451044854-648-12-(1-Methyl-1H-indazol-3-yl)ethanamine2-(1-methylindazol-3-yl)ethanamineCHEMBL4520784SCHEMBL41979651GHA14425AKOS015178133CS-0234436EN300-141905
Show more names
1H-Indazole-3-ethanamine, 1-methyl-
Z1268480764
Database identifiers
- CAS
181144-25-2- PubChem CID
- 65836719
- ChEMBL
CHEMBL4520784- EC Number
- 854-648-1
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 323.4 · 323.4±17.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…