[email protected]
CAS 3007-74-7 N-Dodecylaniline molecular structure lightbox
CAS RN: 3007-74-7

N-Dodecylaniline

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 1g In stock Inquiry
Batchno.20250513 25g In stock Inquiry
Batchno.20250107 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 1g In stock Shandong Inquiry
Batchno.20260212 25g In stock Shanghai Inquiry
Batchno.20260329 5g In stock Shanghai, Shandong Inquiry
  • Product code: ICTD0987
  • Purity/Analytical Methods: >93.0%(GC)
GET A QUOTE

3007-74-7 / N-dodecylaniline

Standard CAS: 3007-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3007-74-7
Multi CAS
No
Molecular Formula
C18H31N
Molecular Weight
261.400000
Exact Mass
261.245650
InChI
InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
InChIKey
LQKYCMRSWKQVBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.78
TPSA
12.03

LogP / Solubility

WLOGP
6.02
MLOGP
5.3
XLogP3
7.5
Consensus LogP
6.27
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.04

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us