Dehydroabietic Acid 2-Aminoethanol Salt - CAS 642989-65-9

Catalog:	BB068577
Product Name:	Dehydroabietic Acid 2-Aminoethanol Salt
CAS:	642989-65-9
Synonyms:	(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic Acid 2-Aminoethanol

Technical Data

IUPAC Name:	(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid2-aminoethanol
Description:	Dehydroabietic Acid 2-Aminoethanol Salt is the salt form of Dehydroabietic Acid (D229085), a resin acid found commonly in rosin. Dehydroabietic Acid is used in rosin-type nucleating agent for polypropylene (PP). Dehydroabietic Acid is used commonly in the synthesis of surfactants, antioxidants and chiral catalysts.
Molecular Weight:	361.52
Molecular Formula:	C22H53NO3
Canonical SMILES:	CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C.C(CO)N
InChI:	InChI=1S/C20H28O2.C2H7NO/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)223-1-2-4/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)4H,1-3H2/t17-,19-,20-/m1./s1
InChI Key:	FMMWOHCVXJUEBA-YGJXXQMASA-N
Solubility:	Dimethylsulfoxide, Methanol
Appearance:	Off-white Solid
References:	Stricker, J. Plaste Kautsch., 16, 481 (1969); Cui, G. et al. Jing. Yu Zhuan. Huax., 14, 6 (2006); Wang, H. et al. J. Appl. Polym. Sci., 89, 2137 (2003).

Complexity:	453
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	361.26169398
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	361.26169398
Rotatable Bond Count:	3
Topological Polar Surface Area:	83.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0