(S)-2-Amino-5-methoxytetralin (S)-mandelate

Base Information

• Chemical Name: (S)-2-Amino-5-methoxytetralin (S)-mandelate
• CAS No.: 439133-67-2
• Molecular Formula: C19H23NO4
• Molecular Weight: 329.39000
• Hs Code.: 2922509090
• European Community (EC) Number: 694-859-4
• DSSTox Substance ID: DTXSID70693867
• Mol file: 439133-67-2.mol

Synonyms:439133-67-2;(S)-2-Amino-5-methoxytetralin (S)-mandelate;(S)-5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (S)-2-hydroxy-2-phenylacetate;(2S)-2-hydroxy-2-phenylacetic acid;(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;(S)-2-Amino-5-methoxytetralin (S)-Mandelate;(aS)-(2S)-compd. with 1,2,3,4-Tetrahydro-5-methoxy-2-naphthalenamine a-Hydroxybenzeneacetic acid;compd. with (2S)-1,2,3,4-Tetrahydro-5-methoxy-2-naphthalenamine (aS)-a-Hydroxybenzeneacetic acid;DTXSID70693867;CS-M2289;AKOS015904544;AC-30578;AS-82919;A24944;D77460;(2S)-Hydroxy(phenyl)acetic acid--(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (1/1)

Chemical Property of (S)-2-Amino-5-methoxytetralin (S)-mandelate

Chemical Property:

• Melting Point: 200-201℃
• PSA: 92.78000
• LogP: 3.01610
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 329.16270821
• Heavy Atom Count: 24
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

(S)-5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine(S)-2-hydroxy-2-phenylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1CCC(C2)N.C1=CC=C(C=C1)C(C(=O)O)O
• Isomeric SMILES: COC1=CC=CC2=C1CC[C@@H](C2)N.C1=CC=C(C=C1)[C@@H](C(=O)O)O