![CAS 1246816-03-4 rac-2-[(1-Amino-3-methyl)butyl]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246816-03-4.gif)
CAS RN: 1246816-03-4
rac-2-[(1-Amino-3-methyl)butyl]aniline
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.20260215 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246816-03-4
- Purity/Analytical Methods: >99.0%
1246816-03-4 / 2-(1-amino-3-methylbutyl)aniline
Basic Information
CAS
1246816-03-4
Multi CAS
No
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
SMILES
CC(C)CC(C1=CC=CC=C1N)N
InChI
InChI=1S/C11H18N2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-6,8,11H,7,12-13H2,1-2H3
InChIKey
SDYJLRMNAPWVII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.24
TPSA
52.04
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.16
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
2
Customers Also Viewed
-
Vincristine-d3 Sulfate
- CAS RN: 1246817-10-6
- Product Code: starshine_CAS1246817-10-6
- Purity/Analytical method: >99.0%
-
Benzydamine-d6 Hydrochloride
- CAS RN: 1246817-20-8
- Product Code: starshine_CAS1246817-20-8
- Purity/Analytical method: >99.0%
-
1-[[2-(2,4-dichlorophenyl)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- CAS RN: 1246818-14-3
- Product Code: starshine_CAS1246818-14-3
- Purity/Analytical method: >99.0%
-
2-Amino-6,8-dihydroxypurine Hydrochloride
- CAS RN: 1246818-54-1
- Product Code: starshine_CAS1246818-54-1
- Purity/Analytical method: >99.0%
-
2-Benzylamino-2-phenylbutanol-d5
- CAS RN: 1246818-61-0
- Product Code: starshine_CAS1246818-61-0
- Purity/Analytical method: >99.0%
-
N-Isopropyl Carvedilol
- CAS RN: 1246819-01-1
- Product Code: starshine_CAS1246819-01-1
- Purity/Analytical method: >99.0%
![CAS 1246818-14-3 1-[[2-(2,4-dichlorophenyl)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246818-14-3.gif)
