2,2-Bis[4-(4-aminophenoxy)phenyl]propane - CAS 13080-86-9
Catalog: |
BB007176 |
Product Name: |
2,2-Bis[4-(4-aminophenoxy)phenyl]propane |
CAS: |
13080-86-9 |
Synonyms: |
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline; 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline |
IUPAC Name: | 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline |
Description: | Applications: 4,4'-(4,4'-ISOPROPYLIDENEDIPHENYL-1,1'-DIYLDIOXY)DIANILINE is a useful research chemical. |
Molecular Weight: | 410.51 |
Molecular Formula: | C27H26N2O2 |
Canonical SMILES: | CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N |
InChI: | InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3 |
InChI Key: | KMKWGXGSGPYISJ-UHFFFAOYSA-N |
Boiling Point: | 587.1±50.0 °C (Predicted) |
Melting Point: | 127-130 °C (lit.) |
Purity: | > 98.0 % (T) (HPLC) |
Density: | 1.178±0.06 g/cm3(Predicted) |
MDL: | MFCD00039152 |
LogP: | 7.92390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 475 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 410.199428076 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 410.199428076 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 70.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.4 |
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