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CAS 120-26-3 3,4-dimethoxy-alpha-methylphenethylamine molecular structure lightbox
CAS RN: 120-26-3

3,4-dimethoxy-alpha-methylphenethylamine

  • Product code: SSC-020780
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

120-26-3 / 1-(3,4-dimethoxyphenyl)propan-2-amine

3,4-Dimethoxyamphetamine | alpha-Methylhomoveratrylamine | EMH5PUB78V

Standard CAS: 120-26-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120-26-3
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)N
InChI
InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
InChIKey
KAZPHAGSWZTKDW-UHFFFAOYSA-N
Synonyms
3,4-Dimethoxyamphetamine alpha-Methylhomoveratrylamine EMH5PUB78V Benzeneethanamine, 3,4-dimethoxy-alpha-methyl- DTXSID50902787

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.9
TPSA
44.48

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.4
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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