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CAS 25549-16-0 TRIISOOCTYLAMINE molecular structure lightbox
CAS RN: 25549-16-0

TRIISOOCTYLAMINE

  • Product code: SSC-121611
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25549-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Beijing Inquiry
500g >98% 0 Out of Stock Shanghai Inquiry
1000g >98% 0 Out of Stock Beijing Inquiry

25549-16-0 / 6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine

Standard CAS: 25549-16-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25549-16-0
Multi CAS
No
Molecular Formula
C24H51N
Molecular Weight
353.700000
Exact Mass
353.402151
SMILES
CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C
InChI
InChI=1S/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
InChIKey
YKGBNAGNNUEZQC-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
1
Molar refractivity
116.36
TPSA
3.24

LogP / Solubility

WLOGP
7.94
MLOGP
7
XLogP3
9.6
Consensus LogP
8.18
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.71
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
Yes
Log Kp (skin permeation)
0.76

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

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