CAS RN: 1030287-80-9
2-HYDRAZINO-BENZONITRILE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-004454
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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1030287-80-9 / 2-hydrazinylbenzonitrile;hydrochloride
2-Hydrazinylbenzonitrile hydrochloride | 2-hydrazinylbenzonitrile;hydrochloride | MFCD03094641
Basic Information
CAS
1030287-80-9
Multi CAS
No
Molecular Formula
C7H8ClN3
Molecular Weight
169.610000
Exact Mass
169.040675
SMILES
C1=CC=C(C(=C1)C#N)NN.Cl
InChI
InChI=1S/C7H7N3.ClH/c8-5-6-3-1-2-4-7(6)10-9;/h1-4,10H,9H2;1H
InChIKey
RARAOLHRHJYACE-UHFFFAOYSA-N
Synonyms
2-Hydrazinylbenzonitrile hydrochloride
2-hydrazinylbenzonitrile;hydrochloride
MFCD03094641
2-Hydrazinylbenzonitrile HCl
2-hydrazinobenzonitrile hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.22
TPSA
61.84
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.86
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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