α-[(Dimethylamino)methyl]-α-ethyl-benzenemethanol - CAS 5612-61-3

Catalog:	BB067310
Product Name:	α-[(Dimethylamino)methyl]-α-ethyl-benzenemethanol
CAS:	5612-61-3
Synonyms:	α-[(Dimethylamino)methyl]-α-ethyl-benzyl Alcohol

Technical Data

IUPAC Name:	1-(dimethylamino)-2-phenylbutan-2-ol
Description:	α-[(Dimethylamino)methyl]-α-ethyl-benzenemethanol is an intermediate in the preparation of pharmaceutical goods.
Molecular Weight:	193.29
Molecular Formula:	C12H19NO
Canonical SMILES:	CCC(CN(C)C)(C1=CC=CC=C1)O
InChI:	InChI=1S/C12H19NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChI Key:	TXXOHRYHPSLKNY-UHFFFAOYSA-N
Solubility:	DCM, Ethyl Amine
Appearance:	Colorless Oil
References:	Chapman, N.B., et al. J. Chem. Soc., 4835 (2963); Nelson, N.A., et al. J. Am. Chem. Soc., 81, 5009 (1959); Chapman, N.B..et al. J. Chem. Soc., 4835 (1963).

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.14666423
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.14666423
Rotatable Bond Count:	4
Topological Polar Surface Area:	23.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8