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 | Shenzhen | Inquiry |
1147181-21-2 / 2-cyclopropyloxyethanamine
2-Cyclopropoxyethan-1-amine | 2-Cyclopropoxyethanamine | 2-cyclopropyloxyethanamine
Basic Information
CAS
1147181-21-2
Multi CAS
No
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
SMILES
C1CC1OCCN
InChI
InChI=1S/C5H11NO/c6-3-4-7-5-1-2-5/h5H,1-4,6H2
InChIKey
GDEHRJSATUHUBT-UHFFFAOYSA-N
Synonyms
2-Cyclopropoxyethan-1-amine
2-Cyclopropoxyethanamine
2-cyclopropyloxyethanamine
2-(cyclopropoxy)ethanamine
SCHEMBL13162816
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.03
TPSA
35.25
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
-0.3
Consensus LogP
-0.03
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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
1.5
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