CAS RN: 683740-35-4
3-(aminomethyl)-5-chloroaniline
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.20250711 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS683740-35-4
- Purity/Analytical Methods: >99.0%
683740-35-4 / 3-(aminomethyl)-5-chloroaniline
Basic Information
CAS
683740-35-4
Multi CAS
No
Molecular Formula
C7H9CLN2
Molecular Weight
156.610000
Exact Mass
156.045426
InChI
InChI=1S/C7H9ClN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,4,9-10H2
InChIKey
WIVZFVALCYRYIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.76
TPSA
52.04
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.69
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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