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CAS 16165-33-6 Diundecylamine molecular structure lightbox
CAS RN: 16165-33-6

Diundecylamine

  • Product code: SSC-069269
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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: 5g
  • 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 16165-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

16165-33-6 / N-undecylundecan-1-amine

Standard CAS: 16165-33-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16165-33-6
Multi CAS
No
Molecular Formula
C22H47N
Molecular Weight
325.600000
Exact Mass
325.370851
SMILES
CCCCCCCCCCCNCCCCCCCCCCC
InChI
InChI=1S/C22H47N/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3
InChIKey
NKGSHSILLGXYDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
1
H-bond donors
1
Molar refractivity
107.32
TPSA
12.03

LogP / Solubility

WLOGP
7.64
MLOGP
6.74
XLogP3
9.9
Consensus LogP
8.09
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.72

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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