| CAS Number | 78540-47-3 |
| Catalog Number | AG00G442(AGN-PC-00KHI2) |
| Chemical Name | 3-(phenylsulfanyl)propan-1-amine hydrochloride |
| IUPAC Name | 3-phenylsulfanylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H13NS.ClH/c10-7-4-8-11-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,10H2;1H |
| InChI Key | RAVLSRNUQXYLQG-UHFFFAOYSA-N |
| MDL Number | MFCD08447166 |
| Molecular Formula | C9H14ClNS |
| Molecular Weight | 203.7322 |
| SMILES | Cl.NCCCSC1=CC=CC=C1 |
| Synonyms | 3-(phenylthio)propan-1-amine hydrochloride,
78540-47-3,
[(3-aminopropyl)sulfanyl]benzene hydrochloride,
AC1Q3DCL,
SCHEMBL7362808,
CTK8F4749,
3-(Phenylthio)propan-1-amine, HCl,
AKOS016881328,
MCULE-5709270939,
NE41775,
SC-42029,
FT-0695943,
EN300-08763,
3-(phenylsulfanyl)propan-1-amine hydrochloride,
Phenylthiopropylamine,
C9-H13-N-S,
2-(aminomethyl)-ethylthiobenzene hydrochloride,
2015-09-0,
|
| Complexity | 89.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.728g/mol |
| Monoisotopic Mass | 203.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number