CAS RN: 18292-76-7
N-prop-2-yn-1-ylcyclohexanamine(SALTDATA: HCl 0.1H2O)
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.20260627 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS18292-76-7
- Purity/Analytical Methods: >99.0%
18292-76-7 / N-prop-2-ynylcyclohexanamine
Basic Information
CAS
18292-76-7
Multi CAS
No
Molecular Formula
C9H15N
Molecular Weight
137.220000
Exact Mass
137.120449
SMILES
C#CCNC1CCCCC1
InChI
InChI=1S/C9H15N/c1-2-8-10-9-6-4-3-5-7-9/h1,9-10H,3-8H2
InChIKey
PDZCAXWOOIGGAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.71
TPSA
12.03
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.7
Consensus LogP
1.53
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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- CAS RN: 18293-54-4
- Product Code: starshine_CAS18293-54-4
- Purity/Analytical method: >99.0%
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