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CAS 51938-16-0 N-METHYL-N-(4-HYDROXYBUTYL)NITROSAMINE molecular structure lightbox
CAS RN: 51938-16-0

N-METHYL-N-(4-HYDROXYBUTYL)NITROSAMINE

  • Product code: SSC-158984
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51938-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

51938-16-0 / N-(4-hydroxybutyl)-N-methylnitrous amide

Standard CAS: 51938-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51938-16-0
Multi CAS
No
Molecular Formula
C5H12N2O2
Molecular Weight
132.160000
Exact Mass
132.089878
InChI
InChI=1S/C5H12N2O2/c1-7(6-9)4-2-3-5-8/h8H,2-5H2,1H3
InChIKey
QYWUTOQYPOONLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.74
TPSA
52.9

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
0.2
Consensus LogP
0.3
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.43
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)
-3.26

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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