CAS RN: 2227206-70-2
2-aminocyclopropane-1-carbonitrile hydrochloride
- Product code: SSC-107501
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2227206-70-2 / 2-aminocyclopropane-1-carbonitrile;hydrochloride
Basic Information
CAS
2227206-70-2
Multi CAS
No
Molecular Formula
C4H7ClN2
Molecular Weight
118.560000
Exact Mass
118.029776
SMILES
C1C(C1N)C#N.Cl
InChI
InChI=1S/C4H6N2.ClH/c5-2-3-1-4(3)6;/h3-4H,1,6H2;1H
InChIKey
GOTQHUQFUFEEJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.94
TPSA
49.81
LogP / Solubility
WLOGP
0.28
MLOGP
0.24
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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