CAS RN: 4067-16-7
Pentaethylenehexamine (mixture)
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250730 | 25g / 100g / 500g / 2.5kg / 10kg / 25kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: ICTP0622
4067-16-7 / N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
Basic Information
CAS
4067-16-7
Multi CAS
No
Molecular Formula
C10H28N6
Molecular Weight
232.370000
Exact Mass
232.237545
InChI
InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
InChIKey
LSHROXHEILXKHM-UHFFFAOYSA-N
Physical Properties
Boiling Point
662 to 734 °F at 760 mmHg (USCG, 1999)
Density
1 at 68 °F (USCG, 1999)
Physical Description
Yellowish liquid with an odor of ammonia. (USCG, 1999)
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
6
Molar refractivity
69.59
TPSA
100.16
LogP / Solubility
WLOGP
-2.74
MLOGP
-2.41
XLogP3
-3.4
Consensus LogP
-2.85
Log S (ESOL)
1.3
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
