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CAS 7020-80-6 N-ETHYLIDENE TERT-BUTYLAMINE molecular structure lightbox
CAS RN: 7020-80-6

N-ETHYLIDENE TERT-BUTYLAMINE

  • Product code: SSC-180012
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7020-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

7020-80-6 / N-tert-butylethanimine

Standard CAS: 7020-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7020-80-6
Multi CAS
No
Molecular Formula
C6H13N
Molecular Weight
99.170000
Exact Mass
99.104799
InChI
InChI=1S/C6H13N/c1-5-7-6(2,3)4/h5H,1-4H3
InChIKey
RPVBCVQKDPOMII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.92
TPSA
12.36

LogP / Solubility

WLOGP
1.88
MLOGP
1.64
XLogP3
0.8
Consensus LogP
1.44
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-1.99

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

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