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CAS 2137677-39-3 (3-methoxycyclobutyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 2137677-39-3

(3-methoxycyclobutyl)methanamine hydrochloride

  • Product code: SSC-102194
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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 2137677-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

2137677-39-3 / (3-methoxycyclobutyl)methanamine;hydrochloride

Standard CAS: 2137677-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2137677-39-3
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
COC1CC(C1)CN.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-8-6-2-5(3-6)4-7;/h5-6H,2-4,7H2,1H3;1H
InChIKey
RFUPXHYVTXHFAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.82
TPSA
35.25

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.08

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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