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CAS 10224-66-5 (2,5-Dimethoxy-phenyl)-methyl-amine molecular structure lightbox
CAS RN: 10224-66-5

(2,5-Dimethoxy-phenyl)-methyl-amine

  • Product code: SSC-003530
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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: 0.25g
  • Available purity: ≥95%
  • 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 10224-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

10224-66-5 / 2,5-dimethoxy-N-methylaniline

2,5-dimethoxy-N-methylaniline | DTXSID60563681 | RefChem:247516

Standard CAS: 10224-66-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10224-66-5
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
CNC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C9H13NO2/c1-10-8-6-7(11-2)4-5-9(8)12-3/h4-6,10H,1-3H3
InChIKey
MWNSYRQZGLEMAU-UHFFFAOYSA-N
Synonyms
2,5-dimethoxy-N-methylaniline DTXSID60563681 RefChem:247516 DTXCID20514457 973-286-6

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.09
TPSA
30.49

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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