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CAS 54897-62-0 N-ETHYL-N-BUTAN-4-OL-NITROSAMINE molecular structure lightbox
CAS RN: 54897-62-0

N-ETHYL-N-BUTAN-4-OL-NITROSAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251029 200mg / 1g / 5g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS54897-62-0
  • Purity/Analytical Methods: >99.0%
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54897-62-0 / N-ethyl-N-(4-hydroxybutyl)nitrous amide

Standard CAS: 54897-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54897-62-0
Multi CAS
No
Molecular Formula
C6H14N2O2
Molecular Weight
146.190000
Exact Mass
146.105528
InChI
InChI=1S/C6H14N2O2/c1-2-8(7-10)5-3-4-6-9/h9H,2-6H2,1H3
InChIKey
SAWPRHGGVOPPSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.36
TPSA
52.9

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.6
Consensus LogP
0.67
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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