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CAS 59477-37-1 3-Cyclohexen-1-amine,4-methyl-(9CI) molecular structure lightbox
CAS RN: 59477-37-1

3-Cyclohexen-1-amine,4-methyl-(9CI)

  • Product code: SSC-167901
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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 59477-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

59477-37-1 / 4-methylcyclohex-3-en-1-amine

Standard CAS: 59477-37-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59477-37-1
Multi CAS
No
Molecular Formula
C7H13N
Molecular Weight
111.180000
Exact Mass
111.104799
InChI
InChI=1S/C7H13N/c1-6-2-4-7(8)5-3-6/h2,7H,3-5,8H2,1H3
InChIKey
GJIKAJOLWXMKEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.71
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.58
TPSA
26.02

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
0.8
Consensus LogP
1.17
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.37

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
2

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