![CAS 214759-42-9 1-[4-(aminomethyl)phenyl]ethan-1-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/214759-42-9.gif)
CAS RN: 214759-42-9
1-[4-(aminomethyl)phenyl]ethan-1-ol
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.20260622 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS214759-42-9
- Purity/Analytical Methods: >99.0%
214759-42-9 / 1-[4-(aminomethyl)phenyl]ethanol
Basic Information
CAS
214759-42-9
Multi CAS
No
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
SMILES
CC(C1=CC=C(C=C1)CN)O
InChI
InChI=1S/C9H13NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6,10H2,1H3
InChIKey
RIYYBTSTPIEMBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.97
TPSA
46.25
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
0.3
Consensus LogP
0.85
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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