| CAS Number | 2095772-93-1 |
| Catalog Number | AG01DMCI |
| Chemical Name | (2S)-2-Amino-2-(3-methylphenyl)ethan-1-ol hcl |
| IUPAC Name | (2S)-2-amino-2-(3-methylphenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C9H13NO.ClH/c1-7-3-2-4-8(5-7)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m1./s1 |
| InChI Key | IHNWJJLKSBXLRI-SBSPUUFOSA-N |
| MDL Number | MFCD12758125 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | CC1=CC([C@H](N)CO)=CC=C1.[H]Cl |
| Synonyms | (2S)-2-amino-2-(3-methylphenyl)ethan-1-ol hcl,
(S)-2-Amino-2-(m-tolyl)ethanol hydrochloride,
2095772-93-1,
(S)-2-Amino-2-(m-tolyl)ethanol HCl,
(2S)-2-amino-2-(3-methylphenyl)ethan-1-ol hydrochloride,
SCHEMBL18766163,
KS-00000TUM,
KS-000026FK,
MFCD12758125,
AKOS030632814,
GS-7320,
1026230-99-8,
N/A,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.667g/mol |
| Monoisotopic Mass | 187.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^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