Synonyms
ZINC37011481; DTXSID20584913; AS-39236; (1S,2S)-1,2-Diamino-1,2-bis(2-hydroxyphenyl)ethane; J-004119; CTK3C5651; (1S,2S)-1,2-Bis(2-hydroxyphenyl)ethylenediamine, 95%; (-)-2,2'-((1S,2s)-1,2-diaminoethane-1,2-diyl)-diphenol; (1S,2S)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diamine; 870991-68-7;
IUPAC Name
2-[(1S,2S)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol;
Molecular Weight
244.294g/mol
Molecular Formula
C14H16N2O2;
Canonical SMILES
C1=CC=C(C(=C1)C(C(C2=CC=CC=C2O)N)N)O;
InChI
InChI=1S/C14H16N2O2/c15-13(9-5-1-3-7-11(9)17)14(16)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H,15-16H2/t13-,14-/m0/s1;
InChI Key
MRNPLGLZBUDMRE-KBPBESRZSA-N;
Complexity
236
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
244.121g/mol
H-Bond Acceptor
4
H-Bond Donor
4
Heavy Atom Count
18
Monoisotopic Mass
244.121g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
92.5A^2
