A3Jkn6VL4T

Base Information

• Chemical Name: A3Jkn6VL4T
• CAS No.: 77955-41-0
• Molecular Formula: C19H23NO3
• Molecular Weight: 313.39
• UNII: A3JKN6VL4T
• Nikkaji Number: J367.369C
• Wikidata: Q76309572
• Mol file: 77955-41-0.mol

Synonyms:A3JKN6VL4T;SCHEMBL11172401;BRL-26830;rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate;77955-41-0;Benzoic acid, 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-, methyl ester, rel-;Benzoic acid, 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]-, methyl ester, (R*,R*)-(+/-)-

Chemical Property of A3Jkn6VL4T

Chemical Property:

• PSA: 58.56000
• LogP: 3.11830
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 313.16779360
• Heavy Atom Count: 23
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC=CC=C2)O
• Isomeric SMILES: C[C@@H](CC1=CC=C(C=C1)C(=O)OC)NC[C@H](C2=CC=CC=C2)O