2-(Boc-amino)-1-(2-chlorophenyl)ethanol - CAS 209530-20-1
Catalog: |
BB016455 |
Product Name: |
2-(Boc-amino)-1-(2-chlorophenyl)ethanol |
CAS: |
209530-20-1 |
Synonyms: |
N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate |
Description: | 2-(Boc-amino)-1-(2-chlorophenyl)ethanol (CAS# 209530-20-1 ) is a useful research chemical. |
Molecular Weight: | 271.74 |
Molecular Formula: | C13H18ClNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC(C1=CC=CC=C1Cl)O |
InChI: | InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-8-11(16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17) |
InChI Key: | SIHVAMVTJAAEON-UHFFFAOYSA-N |
LogP: | 3.28900 |
Publication Number | Title | Priority Date |
US-2020031775-A1 | Substituted n-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
US-11136296-B2 | Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
US-2013225646-A1 | Substituted n-phenethyltriazoloneacetamides and use thereof | 20100902 |
US-9180120-B2 | Substituted N-phenethyltriazoloneacetamides and use thereof | 20100902 |
AU-2005221762-A1 | Substituted morpholine and thiomorpholine derivatives | 20040312 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0975211 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0975211 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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