CAS RN: 7699-31-2
N,N’-DIETHYLHYDRAZINE DIHYDROCHLORIDE
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- Product code: starshine_CAS7699-31-2
- Purity/Analytical Methods: >99.0%
7699-31-2 / 1,2-diethylhydrazine;dihydrochloride
Basic Information
CAS
7699-31-2
Multi CAS
Yes
Molecular Formula
C4H14CL2N2
Molecular Weight
161.070000
Exact Mass
160.053404
InChI
InChI=1S/C4H12N2.2ClH/c1-3-5-6-4-2;;/h5-6H,3-4H2,1-2H3;2*1H
InChIKey
NMTDWUVFGOBBAX-UHFFFAOYSA-N
Physical Properties
Melting Point
336 °F (decomposes) (NTP, 1992)
Physical Description
1,2-diethylhydrazine dihydrochloride is a white powder. (NTP, 1992)
White solid; [CAMEO] White odorless crystalline powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.85
TPSA
24.06
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
0.96
Consensus LogP
0.92
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.02
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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