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CAS 102-56-7 2,5-Dimethoxyaniline molecular structure lightbox
CAS RN: 102-56-7

2,5-Dimethoxyaniline

  • Product code: SSC-003188
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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: 25g, 100g
  • Available purity: ≥98%
  • 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 102-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

102-56-7 / 2,5-dimethoxyaniline

2,5-DIMETHOXYANILINE | Benzenamine, 2,5-dimethoxy- | Aminohydroquinone dimethyl ether

Standard CAS: 102-56-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
102-56-7
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
COC1=CC(=C(C=C1)OC)N
InChI
InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKey
NAZDVUBIEPVUKE-UHFFFAOYSA-N
Synonyms
2,5-DIMETHOXYANILINE Benzenamine, 2,5-dimethoxy- Aminohydroquinone dimethyl ether 1-Amino-2,5-dimethoxybenzene Aniline, 2,5-dimethoxy-

Physical Properties

Physical Description
Brown powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.96
TPSA
44.48

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.21
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (88.5%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (11.5%): Harmful if swallowed [Warning Acute toxicity, oral] H373 (19.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P270, P301+P316, P301+P317, P319, P321, P330, P405, and P501

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