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

Catalog Number	ACM870991701-2
CAS	870991-70-1
Synonyms	(1R,2R)-1,2-Bis(2-hydroxyphenyl)ethylenediamine
IUPAC Name	2-[(1R,2R)-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-ZIAGYGMSSA-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-/m1/s1
Boiling Point	457.9±40.0 °C(Predicted)
Melting Point	157-163 °C
Purity	98%+
Appearance	White to off-white powder
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

Q&A

What is the chemical formula for the compound with CAS number 870991-70-1?

The chemical formula is C14H16N2O2.

What is the molecular weight of the compound?

The molecular weight is 244.29.

What product categories does this compound fall under?

The product categories are Chiral Nitrogen and DPEN Series.

What is the product name for this compound?

The product name is (1R,2R)-1,2-BIS(2-HYDROXYPHENYL)ETHYLENEDIAMINE, 95%.

What is the melting point of this compound?

The melting point is 157-163 °C.

What is the density of the compound?

The density is predicted to be 1.294±0.06 g/cm3.

What is the color of the compound?

The color is white to off-white.

What is the optical activity of the compound?

The optical activity is [α]22/D +62°, c = 1% in chloroform.

What is the hazard code for this compound?

The hazard code is Xn.

What is one of the uses of (1R, 2R)-1,2-Bis(2-hydroxyphenyl)ethylenediamine?

It can be used as a precursor for the synthesis of Enantiomerically pure trans-3-arylpiperazine-2-carboxylic acid derivatives via diaza-Cope rearrangement.