CAS RN: 164648-64-0
4-(AMINOMETHYL)-N-METHYLBENZAMIDE
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.20260308 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS164648-64-0
- Purity/Analytical Methods: >99.0%
164648-64-0 / 4-(aminomethyl)-2-methylbenzamide
Basic Information
CAS
164648-64-0
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
SMILES
CC1=C(C=CC(=C1)CN)C(=O)N
InChI
InChI=1S/C9H12N2O/c1-11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
XRVLSHWAKUDIPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.59
TPSA
69.11
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
Consensus LogP
0.34
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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
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