(S)-N-Boc-2-(aminomethyl)-4-methyl-1-pentanol - CAS 941292-90-6
Catalog: |
BB041200 |
Product Name: |
(S)-N-Boc-2-(aminomethyl)-4-methyl-1-pentanol |
CAS: |
941292-90-6 |
Synonyms: |
N-[(2S)-2-(hydroxymethyl)-4-methylpentyl]carbamic acid tert-butyl ester; tert-butyl N-[(2S)-2-(hydroxymethyl)-4-methylpentyl]carbamate |
IUPAC Name: | tert-butyl N-[(2S)-2-(hydroxymethyl)-4-methylpentyl]carbamate |
Description: | (S)-N-Boc-2-(aminomethyl)-4-methyl-1-pentanol (CAS# 941292-90-6 ) is a useful research chemical. |
Molecular Weight: | 231.33 |
Molecular Formula: | C12H25NO3 |
Canonical SMILES: | CC(C)CC(CNC(=O)OC(C)(C)C)CO |
InChI: | InChI=1S/C12H25NO3/c1-9(2)6-10(8-14)7-13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)/t10-/m0/s1 |
InChI Key: | WCYJANVXBIHYCS-JTQLQIEISA-N |
LogP: | 2.55660 |
Publication Number | Title | Priority Date |
US-2008058548-A1 | Concise beta2-amino acid synthesis via organocatalytic aminomethylation | 20060325 |
US-7820858-B2 | Concise β2-amino acid synthesis via organocatalytic aminomethylation | 20060325 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.18344366 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.18344366 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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