CAS RN: 15184-98-2
BenzeneMethanaMine, 4-chloro-N,N-diMethyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS15184-98-2
- Purity/Analytical Methods: >99.0%
15184-98-2 / 1-(4-chlorophenyl)-N,N-dimethylmethanamine
Basic Information
CAS
15184-98-2
Multi CAS
No
Molecular Formula
C9H12ClN
Molecular Weight
169.650000
Exact Mass
169.065827
SMILES
CN(C)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H12ClN/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKey
OEZKSNAMPUQHNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
48.84
TPSA
3.24
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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