1-(4-Methylphenyl)-1-methylethylamine Hydrochloride - CAS 1654774-17-0

Catalog:	BB059186
Product Name:	1-(4-Methylphenyl)-1-methylethylamine Hydrochloride
CAS:	1654774-17-0
Synonyms:	1-Methyl-1-p-tolyl-ethylamine hydrochloride; [1-Methyl-1-(4-methylphenyl)ethyl]amine hydrochloride; 2-(4-methylphenyl)propan-2-amine; hydrochloride; 2-(4-methylphenyl)-2-propanamine hydrochloride; 2-(p-tolyl)propan-2-amine hydrochloride

Technical Data

IUPAC Name:	2-(4-methylphenyl)propan-2-aminehydrochloride
Description:	1-(4-Methylphenyl)-1-methylethylamine Hydrochloride can be used as ALX receptor agonists.
Molecular Weight:	185.69
Molecular Formula:	C10H15N·HCl
Canonical SMILES:	CC1=CC=C(C=C1)C(C)(C)N.Cl
InChI:	InChI=1S/C10H15N.ClH/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7H,11H2,1-3H31H
InChI Key:	YFLBJTNWGLYSFB-UHFFFAOYSA-N
Melting Point:	>244°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Corminboeuf, O., et.al. PCT Int. Appl. WO 2015019325 A1, 287, (2015).

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0971272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0971272
Rotatable Bond Count:	1
Topological Polar Surface Area:	26Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0