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SR 59230A Hydrochloride

CAT: 0572-TRC-S684443-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S684443-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1135278-41-9
Synonyms
(2S)-1-(2-Ethylphenoxy)-3-[[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]-2-propanol Hydrochloride;
Hazard Statement
No Data Available
Smiles
O[C@@H](CN[C@H]1CCCC2=C1C=CC=C2)COC3=CC=CC=C3CC.Cl
Molecular Formula
C21H27NO2 • (HCl)
Molecular Weight
361.9
InChI
InChI=1S/C21H27NO2.ClH/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20;/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3;1H/t18-,20-;/m0./s1
Additionnal Information
IUPAC name: (S)-1-(2-ethylphenoxy)-3-(((S)-1,2,3,4-tetrahydronaphthalen-1-yl)amino)propan-2-ol hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

SR 59230A hydrochloride
CAS Number1135278-41-9
PubChem CID24978529
IUPAC Name(2S)-1-(2-ethylphenoxy)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol;hydrochloride
Molecular FormulaC21H28ClNO2
Molecular Weight361.9
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity362
SMILES
CCC1=CC=CC=C1OC[C@H](CN[C@H]2CCCC3=CC=CC=C23)O.Cl
InChI
InChI=1S/C21H27NO2.ClH/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20;/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3;1H/t18-,20-;/m0./s1
InChIKey
SHUCXUIOEAAJJL-MKSBGGEFSA-N
Chemical Structure
2D Structure
2D structure of SR 59230A hydrochloride
CAS: 1135278-41-9
CID: 24978529
Formula: C21H28ClNO2
MW: 361.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass361.1808568
Monoisotopic Mass361.1808568
Topological Polar Surface Area41.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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