| CAS Number | 67747-26-6 |
| Catalog Number | AG005Q9L(AGN-PC-00NCZ6) |
| Chemical Name | N-[2-(Phenylthio)ethyl]-2-propanamine |
| IUPAC Name | N-(2-phenylsulfanylethyl)propan-2-amine |
| InChI | InChI=1S/C11H17NS/c1-10(2)12-8-9-13-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3 |
| InChI Key | KANQDWOEYFTAOB-UHFFFAOYSA-N |
| MDL Number | MFCD08691965 |
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.3244 |
| SMILES | S(CCNC(C)C)C1C=CC=CC=1 |
| Synonyms | 67747-26-6,
N-[2-(PHENYLTHIO)ETHYL]-2-PROPANAMINE,
N-(2-(Phenylthio)ethyl)propan-2-amine,
SCHEMBL10684967,
CTK5C6617,
DTXSID90545955,
CHEMBRDG-BB 9071613,
MFCD08691965,
N-Isopropyl-2-(phenylthio)ethanamine,
ZINC19094334,
AKOS009084891,
AJ-72416,
N-[2-(Phenylsulfanyl)ethyl]propan-2-amine,
Y-4601,
CHEMBRDG-BB9071613,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.324g/mol |
| Monoisotopic Mass | 195.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number