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 |
1060815-26-0 / 1-pyridin-4-ylcyclopropan-1-amine
RefChem:426018 | 1-(4-PYRIDINYL)-CYCLOPROPANAMINE | 111-618-6
Basic Information
CAS
1060815-26-0
Multi CAS
Yes
Molecular Formula
C8H10N2
Molecular Weight
134.180000
Exact Mass
134.084398
SMILES
C1CC1(C2=CC=NC=C2)N
InChI
InChI=1S/C8H10N2/c9-8(3-4-8)7-1-5-10-6-2-7/h1-2,5-6H,3-4,9H2
InChIKey
GOMKSDWWSUWVOG-UHFFFAOYSA-N
Synonyms
RefChem:426018
1-(4-PYRIDINYL)-CYCLOPROPANAMINE
111-618-6
1-(PYRIDIN-4-YL)CYCLOPROPANAMINE
1-PYRIDIN-4-YL-CYCLOPROPYLAMINE
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.34
TPSA
38.91
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.1
Consensus LogP
0.68
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
