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rac 4-(3-Aminobutyl)phenol-[d6]

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General Information
Catalog: BLP-012090
CAS: 1189890-45-6
Molecular Formula: C10H9D6NO
Molecular Weight: 171.27

Chemical Structure

Synonyms	rac 4-(3-Aminobutyl)phenol D6; 4-[3-Amino(2,2,3,4,4,4-2H6)butyl]phenol; 3-Amino-1-(4-hydroxyphenyl)butane-d6; 4-(4'-Hydroxyphenyl)-2-aminobutane-d6; Racemic 3-Amino-1-(4-hydroxyphenyl)butane-d6
IUPAC Name	4-(3-amino-2,2,3,4,4,4-hexadeuteriobutyl)phenol
Related CAS	52846-75-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])CC1=CC=C(C=C1)O)N
Canonical SMILES	CC(CCC1=CC=C(C=C1)O)N
InChI	InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3/i1D3,2D2,8D
InChI Key	WNTVTQIJPAFZEL-ODMYFNJSSA-N
Boiling Point	295.3±23.0 °C at 760 mmHg
Melting Point	107-109°C
Purity	95% atom D
Density	1.0±0.1 g/cm3
Appearance	White Solid
Application	A labelled metabolite of the antihypertensive agent, Labetalol (L096500).
Storage	Store at -20°C