CAS RN: 6306-61-2
2-PropanaMine, N-(2-chloroethyl)-, hydrochloride
- Product code: SSC-172591
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 2 In Stock | Shanghai | Inquiry |
6306-61-2 / N-(2-chloroethyl)propan-2-amine;hydrochloride
Basic Information
CAS
6306-61-2
Multi CAS
Yes
Molecular Formula
C5H13CL2N
Molecular Weight
158.070000
Exact Mass
157.042505
InChI
InChI=1S/C5H12ClN.ClH/c1-5(2)7-4-3-6;/h5,7H,3-4H2,1-2H3;1H
InChIKey
SFRKVRBYLCHDBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.11
TPSA
12.03
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.52
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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