CAS RN: 102-53-4
N,N,N’,N’-TETRAETHYLMETHYLENEDIAMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250313 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS102-53-4
- Purity/Analytical Methods: >99.0%
102-53-4 / N,N,N',N'-tetraethylmethanediamine
N,N,N',N'-Tetraethylmethanediamine | Methanediamine, N,N,N',N'-tetraethyl- | Bis(diethylamino)methane
Basic Information
CAS
102-53-4
Multi CAS
No
Molecular Formula
C9H22N2
Molecular Weight
158.280000
Exact Mass
158.178299
SMILES
CCN(CC)CN(CC)CC
InChI
InChI=1S/C9H22N2/c1-5-10(6-2)9-11(7-3)8-4/h5-9H2,1-4H3
InChIKey
UNEXJVCWJSHFNN-UHFFFAOYSA-N
Synonyms
N,N,N',N'-Tetraethylmethanediamine
Methanediamine, N,N,N',N'-tetraethyl-
Bis(diethylamino)methane
Tetraethylmethylenediamine
N,N,N',N'-Tetraethylmethylenediamine
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
50.71
TPSA
6.48
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.9
Consensus LogP
1.65
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.53
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)
Flammable
Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501
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