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CAS 23834-30-2 methylnitrosamino-N,N-dimethylethylamine molecular structure lightbox
CAS RN: 23834-30-2

methylnitrosamino-N,N-dimethylethylamine

  • Product code: SSC-116179
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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 23834-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

23834-30-2 / N-[2-(dimethylamino)ethyl]-N-methylnitrous amide

Standard CAS: 23834-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23834-30-2
Multi CAS
No
Molecular Formula
C5H13N3O
Molecular Weight
131.180000
Exact Mass
131.105862
SMILES
CN(C)CCN(C)N=O
InChI
InChI=1S/C5H13N3O/c1-7(2)4-5-8(3)6-9/h4-5H2,1-3H3
InChIKey
WDAHFRFQQRIZTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
36.98
TPSA
35.91

LogP / Solubility

WLOGP
0.16
MLOGP
0.13
XLogP3
0.2
Consensus LogP
0.16
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.13
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)
-3.41

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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