Basic information
- CAS
73758-26-6- Standard SMILES
[2H]C([2H])([2H])C([2H])(N)C([2H])([2H])c1ccccc1- InChIKey
KWTSXDURSIMDCE-ZQLKWRTGSA-N- Molecular formula
- C9H13N
- Average molar mass
- 141.24 g/mol
- Monoisotopic mass
- 141.1424599
Names & identifiers
- Preferred name
- Phenethyl-alpha,beta,beta-d3-amine, alpha-methyl-d3-
- IUPAC
- 1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine
- English name
- 1,1,1,2,3,3-hexadeuterio-3-phenyl-propan-2-amine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
Phenethyl-alpha,beta,beta-d3-amine, alpha-methyl-d3-RefChem:1094688Amphetamine-d673758-26-61,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amineBRN 2843830alpha-Methyl-d3-phenethyl-alpha,beta,beta-d3-amine(+/-)-Amphetamine-D6(A+/-)-Amphetamine-d6SCHEMBL30636049DTXSID409946511-Phenyl(~2~H_6_)propan-2-amine
Show more names
(±)-Amphetamine-d6 solution(+/-)-Amphetamine-d6 solution(±)-Amphetamine-d6 solution(±)-Amphetamine-d6 solutionα-(2H3)Methyl(α,β,β-2H3)benzeneethanamine1,1,1,2,3,3-hexadeuterio-3-phenyl-propan-2-amine
NS00096379
Database identifiers
- CAS
73758-26-6- PubChem CID
- 3056366
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 84.7
Physicochemical properties
- Flash point
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C
- form
- liquid
- Major Application
- forensics and toxicology
- InChI
- 1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1D3,7D2,8D
- InChIKey
- KWTSXDURSIMDCE-ZQLKWRTGSA-N
- SMILES
- NC(C(c1ccccc1)([2H])[2H])(C([2H])([2H])[2H])[2H]
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H370
- Precautionary statements
- 210 · P210-P260-P280-P301+P310-P311
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11-23/24/25-39/23/24/25
- Safety Statements
- 7 · 7-16-36/37-45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H301+H311+H331-H370
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P210-P260-P280-P301+P310-P311
Chemistry & industry
Applications
Usesforensics and toxicology
General DescriptionAmphetamine, a stimulant of the phenethylamine class, is found in ADHD-treatment drugs such as Adderall, Vyvanse, and ProCentra. Because of its stimulant effect, amphetamine is used recreationally as a performance-enhancer and illicit drug. This stable-labeled internal standard is suitable for quantitation of amphetamine levels in urine, serum, or plasma by LC/MS or GC/MS for urine drug testing, clinical toxicology, forensic analysis, or sports testing.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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