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CAS 106-66-1 N,N’-DIETHYL-N,N’-DIMETHYLETHYLENEDIAMINE molecular structure lightbox
CAS RN: 106-66-1

N,N’-DIETHYL-N,N’-DIMETHYLETHYLENEDIAMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS106-66-1
  • Purity/Analytical Methods: >99.0%
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106-66-1 / N,N'-diethyl-N,N'-dimethylethane-1,2-diamine

N,N'-Diethyl-N,N'-dimethylethylenediamine | Ethylenediamine, N,N'-diethyl-N,N'-dimethyl- | 1,2-Ethanediamine, N,N'-diethyl-N,N'-dimethyl-

Standard CAS: 106-66-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106-66-1
Multi CAS
Yes
Molecular Formula
C8H20N2
Molecular Weight
144.260000
Exact Mass
144.162649
SMILES
CCN(C)CCN(C)CC
InChI
InChI=1S/C8H20N2/c1-5-9(3)7-8-10(4)6-2/h5-8H2,1-4H3
InChIKey
BWTBHGDNJBIYAQ-UHFFFAOYSA-N
Synonyms
N,N'-Diethyl-N,N'-dimethylethylenediamine Ethylenediamine, N,N'-diethyl-N,N'-dimethyl- 1,2-Ethanediamine, N,N'-diethyl-N,N'-dimethyl- N,N'-Dimethyl-N,N'-diethylethylenediamine 1,2-Ethanediamine, N1,N2-diethyl-N1,N2-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
46.34
TPSA
6.48

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1
Consensus LogP
0.89
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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