CAS RN: 616-39-7

N,N-Diethylmethylamine

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260414 25ml In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250803 500ml In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260417 5ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260328 5ml In stock Shanghai Inquiry
  • Product code: ICTD1138
  • Purity/Analytical Methods: >98.0%(GC)
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616-39-7 / N-ethyl-N-methylethanamine

Standard CAS: 616-39-7 Multi CAS: No

Basic Information

CAS
616-39-7
Multi CAS
No
Molecular Formula
C5H13N
Molecular Weight
87.160000
Exact Mass
87.104799
InChI
InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3
InChIKey
GNVRJGIVDSQCOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
28.84
TPSA
3.24

LogP / Solubility

WLOGP
0.96
MLOGP
0.83
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.26
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)
-2.57

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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