[email protected]
CAS 135-91-1 N1,N1-DIETHYL-4-[4-(DIETHYLAMINO)BENZYL]ANILINE molecular structure lightbox
CAS RN: 135-91-1

N1,N1-DIETHYL-4-[4-(DIETHYLAMINO)BENZYL]ANILINE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260603 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251128 250mg In stock Shanghai, Shandong Inquiry
Batchno.20251115 5g In stock Shandong Inquiry
  • Product code: SSC-042864
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: ＞97%
  • 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 135-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

135-91-1 / 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline

Standard CAS: 135-91-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135-91-1
Multi CAS
No
Molecular Formula
C21H30N2
Molecular Weight
310.500000
Exact Mass
310.240899
SMILES
CCN(CC)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C21H30N2/c1-5-22(6-2)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)23(7-3)8-4/h9-16H,5-8,17H2,1-4H3
InChIKey
MIERBLCDXYWVTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
102.81
TPSA
6.48

LogP / Solubility

WLOGP
4.97
MLOGP
4.39
XLogP3
5.6
Consensus LogP
4.99
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

Customers Also Viewed

Get In Touch

Contact Us