(S)-[1-(hydroxymethyl)-2-(3-pyridinyl)ethyl]carbamic acid 1,1-dimethylethyl ester

Base Information

• Chemical Name: (S)-[1-(hydroxymethyl)-2-(3-pyridinyl)ethyl]carbamic acid 1,1-dimethylethyl ester
• CAS No.: 167298-45-5
• Molecular Formula: C₁₃H₂₀N₂O₃
• Molecular Weight: 252.313
• DSSTox Substance ID: DTXSID801145366

Synonyms:SCHEMBL1541816;VDXPTKBBYPZVAI-NSHDSACASA-N;DTXSID801145366;(S)-[1-(hydroxymethyl)-2-(3-pyridinyl)ethyl]carbamic acid 1,1-dimethylethyl ester;1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-(3-pyridinyl)ethyl]carbamate;167298-45-5

Chemical Property of (S)-[1-(hydroxymethyl)-2-(3-pyridinyl)ethyl]carbamic acid 1,1-dimethylethyl ester

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 252.14739250
• Heavy Atom Count: 18
• Complexity: 264

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CN=CC=C1)CO
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CN=CC=C1)CO

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