2,2'-((1S,2S)-1,2-Diaminoethane-1,2-diyl)diphenol

Catalog Number	ACM870991687-1
CAS	870991-68-7
Synonyms	(1S,2S)-1,2-Bis(2-hydroxyphenyl)ethylenediamine
IUPAC Name	2-[(1S,2S)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol
Molecular Weight	244.29
Molecular Formula	C14H16N2O2
Canonical SMILES	C1=CC=C(C(=C1)C(C(C2=CC=CC=C2O)N)N)O
InChI	MRNPLGLZBUDMRE-KBPBESRZSA-N
InChI Key	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
Melting Point	159 °C(dec.)
Purity	97%
Exact Mass	244.121177757
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isomeric SMILES	C1=CC=C(C(=C1)[C@@H]([C@H](C2=CC=CC=C2O)N)N)O
Monoisotopic Mass	244.121177757
Rotatable Bond Count	3
Topological Polar Surface Area	92.5 Ų