Basic information
- CAS
339055-33-3- Standard SMILES
CC(C)(CN)c1cccs1- InChIKey
GULSTDWKCMPQQZ-UHFFFAOYSA-N- Molecular formula
- C8H13NS
- Average molar mass
- 155.26 g/mol
- Monoisotopic mass
- 155.07687059
Names & identifiers
- Preferred name
- 2-Methyl-2-(thiophen-2-yl)propan-1-amine
- IUPAC
- 2-methyl-2-thiophen-2-ylpropan-1-amine
- English name
- 2-Thiopheneethanamine, -bta-,-bta--dimethyl-
- Molecular formula
- C8H13NS
- Molecular weight
- 155.26052
Names & synonyms
2-methyl-2-(thiophen-2-yl)propan-1-amine339055-33-3RefChem:475144842-420-4MFCD118989382-methyl-2-thiophen-2-ylpropan-1-amine2-methyl-2-(2-thienyl)-1-propanamine2-Thiopheneethanamine, -bta-,-bta--dimethyl-SCHEMBL7509467GULSTDWKCMPQQZ-UHFFFAOYSA-NPNA05533AKOS011792803
Show more names
2-Thiopheneethanamine, β,β-dimethyl-2-Thiopheneethanamine, -bta-,-bta--dimethyl-
AT164382-methyl-2-(2-thienyl)propan-1-amineSY185814CS-0217560EN300-77426F2189-0925Z992250152
Database identifiers
- CAS
339055-33-3- PubChem CID
- 51664087
- EC Number
- 842-420-4
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 225.4 · 225.4±15.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H318-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
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)
- GHS05,GHS07
- Hazard statements
- H302-H312-H315-H318-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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