CAS RN: 23764-31-0
N-PROPYL-1,3-PROPANEDIAMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23764-31-0
- Purity/Analytical Methods: >99.0%
23764-31-0 / N'-propylpropane-1,3-diamine
Basic Information
CAS
23764-31-0
Multi CAS
No
Molecular Formula
C6H16N2
Molecular Weight
116.200000
Exact Mass
116.131349
SMILES
CCCNCCCN
InChI
InChI=1S/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3
InChIKey
OWKYZAGJTTTXOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.83
TPSA
38.05
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
0.1
Consensus LogP
0.24
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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