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CAS 39796-52-6 2-amino-N-benzylacetamide molecular structure lightbox
CAS RN: 39796-52-6

2-amino-N-benzylacetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS39796-52-6
  • Purity/Analytical Methods: >99.0%
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39796-52-6 / 2-amino-N-benzylacetamide

Standard CAS: 39796-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39796-52-6
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
InChI
InChI=1S/C9H12N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
InChIKey
MYZCBJRJVXAQIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.34
TPSA
55.12

LogP / Solubility

WLOGP
0.26
MLOGP
0.23
XLogP3
0.3
Consensus LogP
0.26
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.54

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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