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1220-78-6 | Phenol, 4,4'-(1-methylethylidene)bis[2-amino-
CAS No: 1220-78-6 Catalog No: AG0016KR MDL No:MFCD00437413
Product Description
Catalog Number:
AG0016KR
Chemical Name:
Phenol, 4,4'-(1-methylethylidene)bis[2-amino-
CAS Number:
1220-78-6
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD00437413
IUPAC Name:
2-amino-4-[2-(3-amino-4-hydroxyphenyl)propan-2-yl]phenol
InChI:
InChI=1S/C15H18N2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,16-17H2,1-2H3
InChI Key:
UHIDYCYNRPVZCK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N)C(c1ccc(c(c1)N)O)(C)C
NSC Number:
10847
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Discovery of novel SERCA inhibitors by virtual screening of a large compound library. | European journal of medicinal chemistry 20110501 |
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