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CAS 321890-34-0 1-(azetidin-3-yl)-N,N-dimethylmethanamine molecular structure lightbox
CAS RN: 321890-34-0

1-(azetidin-3-yl)-N,N-dimethylmethanamine

  • Product code: SSC-137745
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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: 0.25g
  • 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 321890-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

321890-34-0 / 1-(azetidin-3-yl)-N,N-dimethylmethanamine

Standard CAS: 321890-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321890-34-0
Multi CAS
No
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
InChI
InChI=1S/C6H14N2/c1-8(2)5-6-3-7-4-6/h6-7H,3-5H2,1-2H3
InChIKey
MSHQGNNZIQLBHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.91
TPSA
15.27

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.1
Consensus LogP
-0.18
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very 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)
-3.58

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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