CAS RN: 2227206-60-0
2-(1-methoxycyclopropyl)ethan-1-amine hydrochloride
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.20260123 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2227206-60-0
- Purity/Analytical Methods: >99.0%
2227206-60-0 / 2-(1-methoxycyclopropyl)ethanamine;hydrochloride
Basic Information
CAS
2227206-60-0
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
COC1(CC1)CCN.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-8-6(2-3-6)4-5-7;/h2-5,7H2,1H3;1H
InChIKey
KDHAMTUMBYUWOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.89
TPSA
35.25
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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