CAS RN: 91215-79-1
4-AMINO-N-ETHYL-N-ISOPROPYLANILINE HYDROCHLORIDE
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.20260529 |
25g |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS91215-79-1
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Purity/Analytical Methods:
>99.0%
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91215-79-1 / 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine
Standard CAS: 91215-79-1
Multi CAS: Yes
Basic Information
CAS
91215-79-1
Multi CAS
Yes
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
InChI
InChI=1S/C11H18N2.ClH/c1-4-13(9(2)3)11-7-5-10(12)6-8-11;/h5-9H,4,12H2,1-3H3;1H
InChIKey
MRSCGJRIQPNDKW-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
1
Molar refractivity
59.01
TPSA
29.26
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5