N-Boc-2-aminophenol - CAS 186663-74-1
Catalog: |
BB014361 |
Product Name: |
N-Boc-2-aminophenol |
CAS: |
186663-74-1 |
Synonyms: |
tert-butyl N-(2-hydroxyphenyl)carbamate |
IUPAC Name: | tert-butyl N-(2-hydroxyphenyl)carbamate |
Description: | N-Boc-2-aminophenol (CAS# 186663-74-1) is an Boc protected 2-Aminophenol (A618930), an isomer of 4-Aminophenol (A618920). |
Molecular Weight: | 209.24 |
Molecular Formula: | C11H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC=C1O |
InChI: | InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h4-7,13H,1-3H3,(H,12,14) |
InChI Key: | UQLYDIDMLDTUDL-UHFFFAOYSA-N |
Boiling Point: | 265.6 ℃ at 760 mmHg |
Density: | 1.182 g/cm3 |
MDL: | MFCD06411300 |
LogP: | 2.75280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021055630-A1 | Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders | 20190917 |
EP-3636635-A1 | Imaging agents | 20181011 |
WO-2020074705-A1 | Imaging agents | 20181011 |
CN-113166054-A | Imaging agent | 20181011 |
EP-3864007-A1 | Imaging agents | 20181011 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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