Basic information
- CAS
893578-86-4- Standard SMILES
C(#Cc1ccccc1)CNCC1CCCO1- InChIKey
MYBDHXSMSSJURH-UHFFFAOYSA-N- Molecular formula
- C14H17NO
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.13101417
Names & identifiers
- Preferred name
- (3-Phenyl-2-propyn-1-YL)(tetrahydro-2-furanylmethyl)amine
- IUPAC
- N-(oxolan-2-ylmethyl)-3-phenylprop-2-yn-1-amine
- English name
- CHEMBRDG-BB 9020054
- Molecular formula
- C14H17NO
- Molecular weight
- 215.29
Names & synonyms
893578-86-4(3-PHENYL-2-PROPYN-1-YL)(TETRAHYDRO-2-FURANYLMETHYL)AMINEN-(oxolan-2-ylmethyl)-3-phenylprop-2-yn-1-amine3-Phenyl-N-((tetrahydrofuran-2-yl)methyl)prop-2-yn-1-amineDTXSID20406000N-(3-phenyl-2-propynyl)-N-(tetrahydro-2-furanylmethyl)amineAKOS009037330AN-465/42519049[(oxolan-2-yl)methyl](3-phenylprop-2-yn-1-yl)amineN-[(Oxolan-2-yl)methyl]-3-phenylprop-2-yn-1-amine3-phenyl-N-(tetrahydrofuran-2-ylmethyl)prop-2-yn-1-amineCHEMBRDG-BB 9020054
Show more names
2-Furanmethanamine, tetrahydro-N-(3-phenyl-2-propyn-1-yl)-(3-phenyl-2-propyn-1-yl)(tetrahydro-2-furanylmethyl)amine(SALTDATA: HCl)
Database identifiers
- CAS
893578-86-4- PubChem CID
- 4722285
- DTXSID
DTXSID20406000
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 342.3 · 342.3±17.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 6.85 · 6.85±0.10(Predicted)
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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