CAS RN: 6006-15-1

N,N-DIETHYL ISOPROPYL AMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6006-15-1
  • Purity/Analytical Methods: >99.0%
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6006-15-1 / N,N-diethylpropan-2-amine

Standard CAS: 6006-15-1 Multi CAS: No

Basic Information

CAS
6006-15-1
Multi CAS
No
Molecular Formula
C7H17N
Molecular Weight
115.220000
Exact Mass
115.136100
InChI
InChI=1S/C7H17N/c1-5-8(6-2)7(3)4/h7H,5-6H2,1-4H3
InChIKey
ULWOJODHECIZAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
38.06
TPSA
3.24

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-2.19

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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