CAS RN: 53309-35-6
1-CHLORO-N,N-DIMETHYL-2-PROPYLAMINE
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.20250421 | 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS53309-35-6
- Purity/Analytical Methods: >99.0%
53309-35-6 / 1-chloro-N,N-dimethylpropan-2-amine
Basic Information
CAS
53309-35-6
Multi CAS
Yes
Molecular Formula
C5H12CLN
Molecular Weight
121.610000
Exact Mass
121.065827
InChI
InChI=1S/C5H12ClN/c1-5(4-6)7(2)3/h5H,4H2,1-3H3
InChIKey
ZMLUHYJUTIZTOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
33.87
TPSA
3.24
LogP / Solubility
WLOGP
1.18
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.63
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
2
