CAS RN: 20917-49-1
N-Nitrosoheptamethyleneimine
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.20250803 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-098803
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: 1g
- Available purity: ≥99%
- 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 |
|---|---|---|---|---|
| 1g | ≥99% | 0 Out of Stock | Hong Kong | Inquiry |
20917-49-1 / 1-nitrosoazocane
Basic Information
CAS
20917-49-1
Multi CAS
No
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
SMILES
C1CCCN(CCC1)N=O
InChI
InChI=1S/C7H14N2O/c10-8-9-6-4-2-1-3-5-7-9/h1-7H2
InChIKey
RCFKQVLHWYOSFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.45
TPSA
32.67
LogP / Solubility
WLOGP
1.93
MLOGP
1.69
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.21
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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