2-(Boc-aminomethyl)benzyl Alcohol - CAS 1333114-86-5
Catalog: |
BB007727 |
Product Name: |
2-(Boc-aminomethyl)benzyl Alcohol |
CAS: |
1333114-86-5 |
Synonyms: |
N-[[2-(hydroxymethyl)phenyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[2-(hydroxymethyl)phenyl]methyl]carbamate |
IUPAC Name: | tert-butyl N-[[2-(hydroxymethyl)phenyl]methyl]carbamate |
Description: | 2-(Boc-aminomethyl)benzyl Alcohol (CAS# 1333114-86-5) is a useful research chemical. |
Molecular Weight: | 237.29 |
Molecular Formula: | C13H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC=CC=C1CO |
InChI: | InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-6-4-5-7-11(10)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16) |
InChI Key: | DKGGBZVYBKJFBX-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.40800 |
Publication Number | Title | Priority Date |
US-2013053380-A1 | Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease | 20100301 |
US-8940722-B2 | Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease | 20100301 |
WO-2011107248-A1 | NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORγ GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE | 20100301 |
US-2012270769-A1 | Methods of using macrocyclic inhibitors of serine protease enzymes | 20091023 |
US-2012270807-A1 | Macrocyclic inhibitors of serine protease enzymes | 20091023 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.13649347 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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