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CAS 2044707-11-9 (4-Nitrobenzyl)hydrazine Dihydrochloride molecular structure lightbox
CAS RN: 2044707-11-9

(4-Nitrobenzyl)hydrazine Dihydrochloride

  • Product code: SSC-096239
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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 2044707-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2044707-11-9 / (4-nitrophenyl)methylhydrazine;dihydrochloride

Standard CAS: 2044707-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044707-11-9
Multi CAS
No
Molecular Formula
C7H11Cl2N3O2
Molecular Weight
240.080000
Exact Mass
239.022832
SMILES
C1=CC(=CC=C1CNN)[N+](=O)[O-].Cl.Cl
InChI
InChI=1S/C7H9N3O2.2ClH/c8-9-5-6-1-3-7(4-2-6)10(11)12;;/h1-4,9H,5,8H2;2*1H
InChIKey
LLNLXWJQLNRMQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.62
TPSA
81.19

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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