| CAS Number | 1310923-31-9 |
| Catalog Number | AG000VID(AGN-PC-0WAN1O) |
| Chemical Name | (S)-1-(3-Fluorophenyl)propan-1-amine hydrochloride |
| IUPAC Name | (1S)-1-(3-fluorophenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12FN.ClH/c1-2-9(11)7-4-3-5-8(10)6-7;/h3-6,9H,2,11H2,1H3;1H/t9-;/m0./s1 |
| InChI Key | ODZRCWFYKMOLKD-FVGYRXGTSA-N |
| MDL Number | MFCD12757046 |
| Molecular Formula | C9H13ClFN |
| Molecular Weight | 189.6576 |
| SMILES | CC[C@@H](C1=CC=CC(F)=C1)N.[H]Cl |
| Synonyms | (S)-1-(3-Fluorophenyl)propan-1-amine hydrochloride,
1310923-31-9,
(S)-1-(3-Fluorophenyl)propan-1-amine HCl,
AK134091,
KS-00000RJV,
KS-000026FE,
MFCD12757046,
AKOS015923140,
GS-7307,
AX8255642,
(1S)-1-(3-fluorophenyl)propan-1-amine hydrochloride,
Benzenemethanamine, alpha-ethyl-3-fluoro-, hydrochloride (1:1), (alphaS)-,
(S)-1-(3-FLUOROPHENYL)PROPAN-1-AMINE-HCl,
473732-89-7,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.658g/mol |
| Monoisotopic Mass | 189.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^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-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number