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CAS 2044-21-5 Dinonylamine molecular structure lightbox
CAS RN: 2044-21-5

Dinonylamine

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260220 1g In stock Inquiry
Batchno.20260327 5g Out of stock Inquiry
  • Product code: SSC-096162
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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
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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 2044-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

2044-21-5 / N-nonylnonan-1-amine

Standard CAS: 2044-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044-21-5
Multi CAS
No
Molecular Formula
C18H39N
Molecular Weight
269.500000
Exact Mass
269.308250
SMILES
CCCCCCCCCNCCCCCCCCC
InChI
InChI=1S/C18H39N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3
InChIKey
MFHKEJIIHDNPQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.86
TPSA
12.03

LogP / Solubility

WLOGP
6.08
MLOGP
5.36
XLogP3
7.7
Consensus LogP
6.38
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
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)
-0.05

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

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