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CAS 10272-07-8 3,5-Dimethoxyaniline molecular structure lightbox
CAS RN: 10272-07-8

3,5-Dimethoxyaniline

  • Product code: SSC-004048
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10272-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 2 In Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

10272-07-8 / 3,5-dimethoxyaniline

3,5-Dimethoxyaniline | Benzenamine, 3,5-dimethoxy- | 3,5-Dimethoxybenzeneamine

Standard CAS: 10272-07-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10272-07-8
Multi CAS
Yes
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
COC1=CC(=CC(=C1)N)OC
InChI
InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3
InChIKey
WNRGWPVJGDABME-UHFFFAOYSA-N
Synonyms
3,5-Dimethoxyaniline Benzenamine, 3,5-dimethoxy- 3,5-Dimethoxybenzeneamine 3,5-DIMETHOXYBENZENAMINE JS9DUH84WG

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
1.3
Consensus LogP
1.24
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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