CAS RN: 21354-48-3
Benzenamine, N,2,5-trimethyl-
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.20260208 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21354-48-3
- Purity/Analytical Methods: >99.0%
21354-48-3 / N,2,5-trimethylaniline
Basic Information
CAS
21354-48-3
Multi CAS
No
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
SMILES
CC1=CC(=C(C=C1)C)NC
InChI
InChI=1S/C9H13N/c1-7-4-5-8(2)9(6-7)10-3/h4-6,10H,1-3H3
InChIKey
FLLXIDNFXBLBMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.46
TPSA
12.03
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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