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CAS 252944-01-7 2,6-Diamino-N2-(2-aminoethyl)-5-nitropyridine molecular structure lightbox
CAS RN: 252944-01-7

2,6-Diamino-N2-(2-aminoethyl)-5-nitropyridine

  • Product code: SSC-121136
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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: 0.25g
  • 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 252944-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

252944-01-7 / 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine

Standard CAS: 252944-01-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252944-01-7
Multi CAS
No
Molecular Formula
C7H11N5O2
Molecular Weight
197.190000
Exact Mass
197.091275
SMILES
C1=CC(=NC(=C1[N+](=O)[O-])N)NCCN
InChI
InChI=1S/C7H11N5O2/c8-3-4-10-6-2-1-5(12(13)14)7(9)11-6/h1-2H,3-4,8H2,(H3,9,10,11)
InChIKey
JNXKEBLSRILDQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
52.85
TPSA
120.1

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
0.3
Consensus LogP
0.06
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96

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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