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CAS 1785022-35-6 4-(1-Methylazetidin-3-yl)aniline molecular structure lightbox
CAS RN: 1785022-35-6

4-(1-Methylazetidin-3-yl)aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260413 100mg Out of stock Inquiry
  • Product code: SSC-079301
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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 1785022-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1785022-35-6 / 4-(1-methylazetidin-3-yl)aniline

Standard CAS: 1785022-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1785022-35-6
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
CN1CC(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H14N2/c1-12-6-9(7-12)8-2-4-10(11)5-3-8/h2-5,9H,6-7,11H2,1H3
InChIKey
RJDUTFFJFOWRHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.09
TPSA
29.26

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-2.79

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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