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CAS 34419-76-6 N,2-Dimethyl-N-nitroso-1-propanamine molecular structure lightbox
CAS RN: 34419-76-6

N,2-Dimethyl-N-nitroso-1-propanamine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 25mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS34419-76-6
  • Purity/Analytical Methods: >99.0%
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34419-76-6 / N-methyl-N-(2-methylpropyl)nitrous amide

Standard CAS: 34419-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34419-76-6
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
InChI
InChI=1S/C5H12N2O/c1-5(2)4-7(3)6-8/h5H,4H2,1-3H3
InChIKey
PYVGSNLVXVKDEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
33.26
TPSA
32.67

LogP / Solubility

WLOGP
1.26
MLOGP
1.09
XLogP3
1.5
Consensus LogP
1.28
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-2.54

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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