| CAS Number | 1215213-92-5 |
| Catalog Number | AG001585(AGN-PC-0WA2S7) |
| Chemical Name | (S)-1-(4-(1-aminoethyl)phenyl)ethanone hydrochloride |
| IUPAC Name | 1-[4-[(1S)-1-aminoethyl]phenyl]ethanone;hydrochloride |
| InChI | InChI=1S/C10H13NO.ClH/c1-7(11)9-3-5-10(6-4-9)8(2)12;/h3-7H,11H2,1-2H3;1H/t7-;/m0./s1 |
| InChI Key | USBZDKPYJQEXOV-FJXQXJEOSA-N |
| MDL Number | MFCD18206318 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | Cl.C[C@@H](C1=CC=C(C(C)=O)C=C1)N |
| Synonyms | 1215213-92-5,
(S)-1-(4-(1-aminoethyl)phenyl)ethanone hydrochloride,
(S)-1-(4-(1-AMINOETHYL)PHENYL)ETHANONE HCL,
DTXSID60725484,
MFCD18206318,
AKOS016846100,
AK134092,
AB0043960,
AX8255643,
ST2401651,
B-1989,
Ethanone, 1-[4-[(1S)-1-aminoethyl]phenyl]-, hydrochloride (1:1),
1-{4-[(1S)-1-Aminoethyl]phenyl}ethan-1-one--hydrogen chloride (1/1),
USBZDKPYJQEXOV-FJXQXJEOSA-N,
ACN-055235,
(r)-1-(4-(1-aminoethyl)phenyl)ethanone hydrochloride,
(S)-1-(4-(1-Aminoethyl)phenyl)ethanonehydrochloride,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number