1-phenyl-N-(thiophen-2-ylmethyl)but-3-en-1-amine
Basic information
- CAS
436088-65-2- Standard SMILES
C=CCC(NCc1cccs1)c1ccccc1- InChIKey
SXNMMABRSVCDEY-UHFFFAOYSA-N- Molecular formula
- C15H17NS
- Average molar mass
- 243.4 g/mol
- Monoisotopic mass
- 243.10817072
Names & identifiers
- Preferred name
- 1-phenyl-N-(thiophen-2-ylmethyl)but-3-en-1-amine
- IUPAC
- 1-phenyl-N-(thiophen-2-ylmethyl)but-3-en-1-amine
- English name
- (1-PHENYL-BUT-3-ENYL)-THIOPHEN-2-YLMETHYL-AMINE
- Molecular formula
- C15H17NS
- Molecular weight
- 243.37
Names & synonyms
436088-65-21-phenyl-N-(thiophen-2-ylmethyl)but-3-en-1-amine(1-Phenyl-but-3-enyl)-thiophen-2-ylmethyl-amine(1-phenyl-but-3-enyl)thiophen-2-ylmethyl-amineOprea1_394168Oprea1_675576DTXSID90389856AKOS000300572AKOS022184231(1-phenylbut-3-enyl)(2-thienylmethyl)amineST500172021-phenyl-N-(2-thienylmethyl)-3-buten-1-amine
Show more names
2-Thiophenemethanamine, N-(1-phenyl-3-buten-1-yl)-
AM-760/40890158SR-01000325675SR-01000325675-11-Phenyl-N-[(thiophen-2-yl)methyl]but-3-en-1-amine
Database identifiers
- CAS
436088-65-2- PubChem CID
- 3147170
- DTXSID
DTXSID90389856
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 345.7 · 345.7±30.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.89 · 7.89±0.29(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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