CAS RN: 16726-41-3
Isopropylhydrazine Hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: ICTI0964
- Purity/Analytical Methods: >98.0%(T)
16726-41-3 / propan-2-ylhydrazine;hydrochloride
Basic Information
CAS
16726-41-3
Multi CAS
No
Molecular Formula
C3H11ClN2
Molecular Weight
110.580000
Exact Mass
110.061076
SMILES
CC(C)NN.Cl
InChI
InChI=1S/C3H10N2.ClH/c1-3(2)5-4;/h3,5H,4H2,1-2H3;1H
InChIKey
ILULYDJFTJKQAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.71
TPSA
38.05
LogP / Solubility
WLOGP
0.28
MLOGP
0.24
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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)
-3.2
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
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (93.1%): Toxic if swallowed [Danger Acute toxicity, oral]
H330 (38.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501
