![CAS 148716-35-2 1-[4-(2-AMINOETHYL)PIPERAZIN-1-YL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/148716-35-2.gif)
CAS RN: 148716-35-2
1-[4-(2-AMINOETHYL)PIPERAZIN-1-YL]ETHANONE
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.20250901 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS148716-35-2
- Purity/Analytical Methods: >99.0%
148716-35-2 / 1-[4-(2-aminoethyl)piperazin-1-yl]ethanone
Basic Information
CAS
148716-35-2
Multi CAS
No
Molecular Formula
C8H17N3O
Molecular Weight
171.240000
Exact Mass
171.137162
SMILES
CC(=O)N1CCN(CC1)CCN
InChI
InChI=1S/C8H17N3O/c1-8(12)11-6-4-10(3-2-9)5-7-11/h2-7,9H2,1H3
InChIKey
IEXLKUJTTDIYQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.75
TPSA
49.57
LogP / Solubility
WLOGP
-0.89
MLOGP
-0.79
XLogP3
-1.4
Consensus LogP
-1.03
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.4
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
Corrosive
Signal
Warning
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
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