CAS RN: 39190-67-5
N-sec-Butylpropylamine
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.20260411 | 5ml | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTB1073
- Purity/Analytical Methods: >98.0%(GC)
39190-67-5 / N-propylbutan-2-amine
Basic Information
CAS
39190-67-5
Multi CAS
Yes
Molecular Formula
C7H17N
Molecular Weight
115.220000
Exact Mass
115.136100
InChI
InChI=1S/C7H17N/c1-4-6-8-7(3)5-2/h7-8H,4-6H2,1-3H3
InChIKey
QYNZYUUXSVZDJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.05
TPSA
12.03
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
