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CAS 16333-93-0 1-(Aminomethyl)-3-methylenecyclobutane 97% molecular structure lightbox
CAS RN: 16333-93-0

1-(Aminomethyl)-3-methylenecyclobutane 97%

  • Product code: SSC-070968
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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 16333-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16333-93-0 / (3-methylidenecyclobutyl)methanamine

Standard CAS: 16333-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16333-93-0
Multi CAS
No
Molecular Formula
C6H11N
Molecular Weight
97.160000
Exact Mass
97.089149
SMILES
C=C1CC(C1)CN
InChI
InChI=1S/C6H11N/c1-5-2-6(3-5)4-7/h6H,1-4,7H2
InChIKey
ZYTYWJHGVSRYNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.92
TPSA
26.02

LogP / Solubility

WLOGP
0.91
MLOGP
0.79
XLogP3
0.3
Consensus LogP
0.67
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-2.67

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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