[3-(Thiophen-3-yl)phenyl]methanamine
Basic information
- CAS
138139-99-8- Standard SMILES
NCc1cccc(-c2ccsc2)c1- InChIKey
GBUXQFDNGWGBJH-UHFFFAOYSA-N- Molecular formula
- C11H11NS
- Average molar mass
- 189.28 g/mol
- Monoisotopic mass
- 189.06122053
Names & identifiers
- Preferred name
- [3-(Thiophen-3-yl)phenyl]methanamine
- IUPAC
- (3-thiophen-3-ylphenyl)methanamine
- English name
- (3-Thien-3-ylphenyl)methylamine
- Molecular formula
- C11H11NS
- Molecular weight
- 189.28
Names & synonyms
(3-(Thiophen-3-yl)phenyl)methanamine[3-(thiophen-3-yl)phenyl]methanamineRefChem:399759976-689-5138139-99-8(3-thien-3-ylphenyl)methylamine(3-thiophen-3-ylphenyl)methanamine1-[3-(Thiophen-3-yl)phenyl]methanamine(3-THIOPHEN-3-YLPHENYL)METHYLAMINEMFCD086902763-thiophen-3-yl-benzylamineSCHEMBL112601
Show more names
Benzenemethanamine, 3-(3-thienyl)-
SCHEMBL3786318DTXSID10601300GBUXQFDNGWGBJH-UHFFFAOYSA-N(3-(3-thienyl)phenyl)methylamine[3-(3-thienyl)phenyl]methanamineNFA13999SBB090998AKOS006282103
Database identifiers
- CAS
138139-99-8- PubChem CID
- 19916941
- DTXSID
DTXSID10601300- EC Number
- 976-689-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- CAS DataBase Reference
- 138139 · 138139-99-8
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
3 records
Compound notes
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