3-Isopropoxyaniline - CAS 41406-00-2
Catalog: |
BB024876 |
Product Name: |
3-Isopropoxyaniline |
CAS: |
41406-00-2 |
Synonyms: |
3-propan-2-yloxyaniline |
IUPAC Name: | 3-propan-2-yloxyaniline |
Description: | 3-Isopropoxyaniline (CAS# 41406-00-2) is a reactant used in the preparation of [1,2,3]triazolo[4,5-d]pyrimidinones as inhibitors of Chikungunya virus replication. |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | CC(C)OC1=CC=CC(=C1)N |
InChI: | InChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3 |
InChI Key: | QMGBIPKOKCSUCL-UHFFFAOYSA-N |
Boiling Point: | 259.2 °C at 760 mmHg |
Density: | 1.014 g/cm3 |
MDL: | MFCD00052700 |
LogP: | 2.63720 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110961151-A | Ruthenium-copper bimetallic catalyst, preparation method and application thereof | 20191115 |
CN-210367493-U | Production system of flutolanil microchannel reactor | 20190828 |
CN-111675963-A | Conductive polymer composition, covering article, and pattern forming method | 20190311 |
EP-3709081-A1 | Conductive polymer composition, coated product and patterning process | 20190311 |
JP-2020147630-A | Conductive polymer composition, coating product, and pattern forming method | 20190311 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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