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CAS 2978-64-5 N,1,1-Trimethyl-1-propanamine molecular structure lightbox
CAS RN: 2978-64-5

N,1,1-Trimethyl-1-propanamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2978-64-5
  • Purity/Analytical Methods: >99.0%
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2978-64-5 / N,2-dimethylbutan-2-amine

Standard CAS: 2978-64-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2978-64-5
Multi CAS
No
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
InChI
InChI=1S/C6H15N/c1-5-6(2,3)7-4/h7H,5H2,1-4H3
InChIKey
BUJFTKPQXSIZFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.43
TPSA
12.03

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.35

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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