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 | Beijing | Inquiry |
1123169-20-9 / 1-(methoxymethyl)cyclobutan-1-amine
1-(methoxymethyl)cyclobutan-1-amine | 1-(Methoxymethyl)cyclobutanamine | 1-METHOXYMETHYL-CYCLOBUTYLAMINE
Basic Information
CAS
1123169-20-9
Multi CAS
No
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
COCC1(CCC1)N
InChI
InChI=1S/C6H13NO/c1-8-5-6(7)3-2-4-6/h2-5,7H2,1H3
InChIKey
OELKIVVMDJOKLG-UHFFFAOYSA-N
Synonyms
1-(methoxymethyl)cyclobutan-1-amine
1-(Methoxymethyl)cyclobutanamine
1-METHOXYMETHYL-CYCLOBUTYLAMINE
MFCD11858342
SCHEMBL12453906
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.65
TPSA
35.25
LogP / Solubility
WLOGP
0.51
MLOGP
0.44
XLogP3
-0.1
Consensus LogP
0.28
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
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)
-3.06
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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