[email protected]
CAS 18871-66-4 1,1-Dimethoxy-N,N-dimethylethylamine molecular structure lightbox
CAS RN: 18871-66-4

1,1-Dimethoxy-N,N-dimethylethylamine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS18871-66-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18871-66-4 / 1,1-dimethoxy-N,N-dimethylethanamine

Standard CAS: 18871-66-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18871-66-4
Multi CAS
No
Molecular Formula
C6H15NO2
Molecular Weight
133.190000
Exact Mass
133.110279
SMILES
CC(N(C)C)(OC)OC
InChI
InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3
InChIKey
FBZVZUSVGKOWHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
36.11
TPSA
21.7

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.4
Consensus LogP
0.45
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.17

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)
Flammable Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H225 (92%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (90%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us