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Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
19223-69-9 / 3-aminopropyl(trimethyl)azanium chloride
Basic Information
CAS
19223-69-9
Multi CAS
No
Molecular Formula
C6H17ClN2
Molecular Weight
152.660000
Exact Mass
152.108026
SMILES
C[N+](C)(C)CCCN.[Cl-]
InChI
InChI=1S/C6H17N2.ClH/c1-8(2,3)6-4-5-7;/h4-7H2,1-3H3;1H/q+1;/p-1
InChIKey
SLCCHLCXVOABIB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.57
TPSA
26.02
LogP / Solubility
WLOGP
-2.95
MLOGP
-2.61
XLogP3
-2.95
Consensus LogP
-2.84
Log S (ESOL)
1.27
Class (ESOL)
Highly soluble
Log S (Ali)
1.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.44
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.75
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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