ethyl(1-phenylpropan-2-yl)amine hydrochloride

• ChemBase ID: 157134
• Molecular Formular: C11H18ClN
• Molecular Mass: 199.72032
• Monoisotopic Mass: 199.11277726
• SMILES: CCNC(C)Cc1ccccc1.Cl
• Canonical SMILES: CCNC(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C11H17N.ClH/c1-3-12-10(2)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H
• InChIKey: HFBTZBOJTFIRAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC Traditional name: ethylamphetamine hydrochloride
• Synonyms: DL-N-Ethylamphetamine hydrochloride; N-Ethyl-α-methylbenzeneethanamine Hydrochloride; (+/-)-Ethylamphetamine Hydrochloride; (+/-)-N-Ethylamphetamine Hydrochloride; Apetinil Depo; Ethylamphetamine Hydrochloride; MG 19973; N-Ethylamphetamine Hydrochloride; NSC 54938; d,1-N-Ethyl Amphetamine Hydrochloride; dl-N-Ethylamphetamine Hydrochloride; Etilamphetamine Hydrochloride; rac-N-Ethyl Amphetamine Hydrochloride; DL-N-Ethylamphetamine hydrochloride solution; DL-N-乙基苯异丙胺 盐酸盐; DL-N-乙基苯异丙胺 盐酸盐 溶液

Database IDs

• CAS Number: 16105-78-5
• EC Number: 240-270-9; 200-659-6
• MDL Number: MFCD01708141
• PubChem SID: 162251271
• PubChem CID: 197941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6362952
• LogD (pH = 7.4): -0.13796817
• Log P: 2.593639
• Molar Refractivity: 53.2284 cm^3
• Polarizability: 21.058481 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• RTECS: SH6818000
• European Hazard Symbols: Flammable (F); Toxic (T); Harmful (Xn)
• German water hazard class: 2; 3
• Risk Statements: 11-23/24/25-39/23/24/25; 22
• Safety Statements: 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H301-H311-H331-H370; H302
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Drug Control: USDEA Schedule II; Home Office Schedule 2; regulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.5% (HPLC)
• Concentration: ~1 mg/mL in methanol
• Grade: analytical standard, for drug analysis
• Impurities: ~1.2 mg/L solution
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C11H17N · HCl

DETAILS

Sigma Aldrich - 40354

Packaging
ampoule contains 1.2mL solution

Toronto Research Chemicals - E678400

Controlled substance (stimulant). Anorexic.

REFERENCES

• Tessel, R.E., et al.: Biochem. Pharmacol., 27, 1631 (1978)