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CAS 46193-94-6 (1-BENZYLAZETIDIN-2-YL)METHANAMINE molecular structure lightbox
CAS RN: 46193-94-6

(1-BENZYLAZETIDIN-2-YL)METHANAMINE

  • Product code: SSC-153727
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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 46193-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

46193-94-6 / (1-benzylazetidin-2-yl)methanamine

Standard CAS: 46193-94-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
46193-94-6
Multi CAS
Yes
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
InChI
InChI=1S/C11H16N2/c12-8-11-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
InChIKey
VEWIYLBNEGSCTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.31
TPSA
29.26

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1
Consensus LogP
1.1
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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