CAS RN: 1214706-98-5
2-Amino-N-benzylpropanamide 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.20260506 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1214706-98-5
- Purity/Analytical Methods: >99.0%
1214706-98-5 / 2-amino-N-benzylpropanamide;hydrochloride
Basic Information
CAS
1214706-98-5
Multi CAS
No
Molecular Formula
C10H15ClN2O
Molecular Weight
214.690000
Exact Mass
214.087291
SMILES
CC(C(=O)NCC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C10H14N2O.ClH/c1-8(11)10(13)12-7-9-5-3-2-4-6-9;/h2-6,8H,7,11H2,1H3,(H,12,13);1H
InChIKey
PPUOUGQOZUEYFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.19
TPSA
55.12
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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