![CAS 53209-19-1 4-Nitro-1,2-phenylenediamine Monohydrochloride [Sensitive reagent for the determination of Se by GC-ECD] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5081-jpgcontextbwfzdgvyfhjvb3r8mjk1mjz8aw1hz2uvanblz3xoytivadk1lzg5mjg1mti5mdexntavqtuwodeuanbnfdm3ymuxmzi2zmqxyjflzjm2mjgwmzk3ywnjzmyyyjblodhhztmwmtkznju4ytljyju4ywnjzju1n2u4mtc0mwe.jpeg)
CAS RN: 53209-19-1
4-Nitro-1,2-phenylenediamine Monohydrochloride [Sensitive reagent for the determination of Se by GC-ECD]
- Product code: SSC-160417
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
53209-19-1 / 4-nitrobenzene-1,2-diamine;hydrochloride
Basic Information
CAS
53209-19-1
Multi CAS
No
Molecular Formula
C6H8CLN3O2
Molecular Weight
189.600000
Exact Mass
189.030504
InChI
InChI=1S/C6H7N3O2.ClH/c7-5-2-1-4(9(10)11)3-6(5)8;/h1-3H,7-8H2;1H
InChIKey
IFTLGFVLGVXRBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.17
TPSA
95.18
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-3.04
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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