CAS RN: 36507-31-0
2-(4-Methyl-1H-imidazol-5-yl)ethanamine
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.20250223 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINM913720
36507-31-0 / 2-(5-methyl-1H-imidazol-4-yl)ethanamine
Basic Information
CAS
36507-31-0
Multi CAS
Yes
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
InChI
InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
InChIKey
UGYXPZQILZRKJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.08
TPSA
54.7
LogP / Solubility
WLOGP
0.22
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.07
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-(4-Methoxyphenoxy)propan-1-amine hydrochloride
- CAS RN: 1352305-22-6
- Product Code: SSC-043246
-
1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone
- CAS RN: 221615-75-4
- Product Code: SSC-106605
-
Decanoic acid, 2-[4-(phenylMethoxy)phenyl]ethyl ester
- CAS RN: 848484-93-5
- Product Code: SSC-192536
-
2-(4′-Chloro-[1,1′-biphenyl]-4-yl)-4,6-diphenyl-1,3,5-triazine
- CAS RN: 1443049-86-2
- Product Code: SSC-055490
-
2-(5-bromothiophen-2-yl-3,4-d2)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 2241867-64-9
- Product Code: LINB889631
-
![CAS 848484-93-5 Decanoic acid, 2-[4-(phenylMethoxy)phenyl]ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d888413.gif)
![CAS 1443049-86-2 2-(4′-Chloro-[1,1′-biphenyl]-4-yl)-4,6-diphenyl-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1443049-86-2.png)
