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CAS 915402-10-7 (3-Methylenecyclobutyl)methanamine molecular structure lightbox
CAS RN: 915402-10-7

(3-Methylenecyclobutyl)methanamine

  • Product code: SSC-204777
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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: 5g
  • 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 915402-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

915402-10-7 / (3-methylidenecyclobutyl)methanamine;hydrochloride

Standard CAS: 915402-10-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915402-10-7
Multi CAS
Yes
Molecular Formula
C6H12CLN
Molecular Weight
133.620000
Exact Mass
133.065827
InChI
InChI=1S/C6H11N.ClH/c1-5-2-6(3-5)4-7;/h6H,1-4,7H2;1H
InChIKey
JEXDYDDDCFCGDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.17
TPSA
26.02

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.33
Consensus LogP
1.28
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.59

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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