(4-Methoxy-benzyl)-(4-methylsulfanyl-benzyl)-amine
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Basic information
- CAS
355381-56-5- Standard SMILES
COc1ccc(CNCc2ccc(SC)cc2)cc1- InChIKey
JJULWJLJSJYAMA-UHFFFAOYSA-N- Molecular formula
- C16H19NOS
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.1187354
Names & identifiers
- Preferred name
- (4-Methoxy-benzyl)-(4-methylsulfanyl-benzyl)-amine
- IUPAC
- 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
- English name
- (4-METHOXY-BENZYL)-(4-METHYLSULFANYL-BENZYL)-AMINE
- Molecular formula
- C16H19NOS
- Molecular weight
- 273.39
Names & synonyms
355381-56-5(4-Methoxy-benzyl)-(4-methylsulfanyl-benzyl)-amineN-(4-Methoxybenzyl)-1-(4-(methylthio)phenyl)methanamine1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine(4-methoxybenzyl)[4-(methylthio)benzyl]amine1-(4-Methoxyphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine[(4-methoxyphenyl)methyl][(4-methylthiophenyl)methyl]amine1-(4-methoxyphenyl)-N-[4-(methylsulfanyl)benzyl]methanamineCambridge id 5521784Oprea1_220168Oprea1_462607DTXSID30353359
Show more names
AKOS B023219ART-CHEM-BB B023219CHEMBRDG-BB 5521784TIMTEC-BB SBB007233(4-methoxybenzyl)[4-(methylthio)benzyl]amine(SALTDATA: HCl)Benzenemethanamine, N-[(4-methoxyphenyl)methyl]-4-(methylthio)-
BBL018617MFCD01135192SBB007233STK145635AKOS000301203CCG-108905SB81984DB-016550
Database identifiers
- CAS
355381-56-5- PubChem CID
- 738580
- DTXSID
DTXSID30353359
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 409.7 · 409.7±35.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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