Basic information
- CAS
893587-03-6- Standard SMILES
Cc1ccc(CNC2CCCC2)s1- InChIKey
JQILXIYTTWRAAG-UHFFFAOYSA-N- Molecular formula
- C11H17NS
- Average molar mass
- 195.33 g/mol
- Monoisotopic mass
- 195.10817072
Names & identifiers
- Preferred name
- N-[(5-methylthiophen-2-yl)methyl]cyclopentanamine
- IUPAC
- N-[(5-methylthiophen-2-yl)methyl]cyclopentanamine
- English name
- CHEMBRDG-BB 9070606
- Molecular formula
- C11H17NS
- Molecular weight
- 195.32
Names & synonyms
893587-03-6N-[(5-methylthiophen-2-yl)methyl]cyclopentanamineN-[(5-METHYL-2-THIENYL)METHYL]CYCLOPENTANAMINEDTXSID90359453STK280258AKOS000284748AN-465/41989647N-cyclopentyl-N-[(5-methyl-2-thienyl)methyl]amineZ57328793AKOS LT-1013X1769CHEMBRDG-BB 9070606UKRORGSYN-BB BBV-159304
Show more names
2-Thiophenemethanamine, N-cyclopentyl-5-methyl-N-[(5-methyl-2-thienyl)methyl]cyclopentanamine(SALTDATA: HCl)
Database identifiers
- CAS
893587-03-6- PubChem CID
- 964355
- DTXSID
DTXSID90359453
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 287.5 · 287.5±25.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 9.44 · 9.44±0.20(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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