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CAS 25413-61-0 N-NITROSOETHYL-N-PROPYLAMINE molecular structure lightbox
CAS RN: 25413-61-0

N-NITROSOETHYL-N-PROPYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS25413-61-0
  • Purity/Analytical Methods: >99.0%
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25413-61-0 / N-ethyl-N-propylnitrous amide

Standard CAS: 25413-61-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25413-61-0
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
SMILES
CCCN(CC)N=O
InChI
InChI=1S/C5H12N2O/c1-3-5-7(4-2)6-8/h3-5H2,1-2H3
InChIKey
SRYOEGQUUQSLBH-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
33.33
TPSA
32.67

LogP / Solubility

WLOGP
1.4
MLOGP
1.22
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.43

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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