CAS RN: 7677-21-6

N,N,N’,N’-TETRAMETHYLETHYLENEDIAMINE DIHYDROCHLORIDE

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  • Product code: starshine_CAS7677-21-6
  • Purity/Analytical Methods: >99.0%
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7677-21-6 / N,N,N',N'-tetramethylethane-1,2-diamine;dihydrochloride

Standard CAS: 7677-21-6 Multi CAS: Yes

Basic Information

CAS
7677-21-6
Multi CAS
Yes
Molecular Formula
C6H18CL2N2
Molecular Weight
189.120000
Exact Mass
188.084704
InChI
InChI=1S/C6H16N2.ClH/c1-7(2)5-6-8(3)4;/h5-6H2,1-4H3;1H
InChIKey
HDFZSPPOXSAVRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.6
TPSA
6.48

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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
Leadlikeness
No
Synthetic Accessibility
1.5

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