[email protected]
CAS 40538-81-6 N’-[2-(dimethylamino)ethyl]-N,N-dimethylethylenediamine molecular structure lightbox
CAS RN: 40538-81-6

N’-[2-(dimethylamino)ethyl]-N,N-dimethylethylenediamine

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 100mg In stock Shanghai Inquiry
Batchno.20251114 1g In stock Shanghai Inquiry
Batchno.20250524 250mg In stock Shanghai Inquiry
  • Product code: SSC-148797
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 40538-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

40538-81-6 / N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine

Standard CAS: 40538-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40538-81-6
Multi CAS
Yes
Molecular Formula
C8H21N3
Molecular Weight
159.270000
Exact Mass
159.173548
InChI
InChI=1S/C8H21N3/c1-10(2)7-5-9-6-8-11(3)4/h9H,5-8H2,1-4H3
InChIKey
JPJMSWSYYHNPLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.98
TPSA
18.51

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.1
Consensus LogP
-0.22
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.17
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)
-3.91

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

Customers Also Viewed

Get In Touch

Contact Us