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CAS 39558-31-1 trans-2-Methyl-cyclohexylamine hydrochloride molecular structure lightbox
CAS RN: 39558-31-1

trans-2-Methyl-cyclohexylamine hydrochloride

  • Product code: SSC-147232
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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: ＞97%
  • 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 39558-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

39558-31-1 / trans-(1R,2R)-2-methylcyclohexan-1-amine;hydrochloride

Standard CAS: 39558-31-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39558-31-1
Multi CAS
Yes
Molecular Formula
C7H16CLN
Molecular Weight
149.660000
Exact Mass
149.097127
InChI
InChI=1S/C7H15N.ClH/c1-6-4-2-3-5-7(6)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m1./s1
InChIKey
XCLFCWFKPOQAHM-ZJLYAJKPSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.86
TPSA
26.02

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.95
Consensus LogP
1.87
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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