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CAS 104485-19-0 (1S,2S)-2-methylcyclohexan-1-amine hydrochloride molecular structure lightbox
CAS RN: 104485-19-0

(1S,2S)-2-methylcyclohexan-1-amine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-006295
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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 104485-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

104485-19-0 / trans-(1S,2S)-2-methylcyclohexan-1-amine;hydrochloride

(1S,2S)-2-methylcyclohexanamine;hydrochloride | (1S,2S)-2-methylcyclohexan-1-amine hydrochloride | 2-Methylcyclohexylamine hydrochloride, (1S,2S)-

Standard CAS: 104485-19-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104485-19-0
Multi CAS
Yes
Molecular Formula
C7H16ClN
Molecular Weight
149.660000
Exact Mass
149.097127
SMILES
C[C@H]1CCCC[C@@H]1N.Cl
InChI
InChI=1S/C7H15N.ClH/c1-6-4-2-3-5-7(6)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m0./s1
InChIKey
XCLFCWFKPOQAHM-LEUCUCNGSA-N
Synonyms
(1S,2S)-2-methylcyclohexanamine;hydrochloride (1S,2S)-2-methylcyclohexan-1-amine hydrochloride 2-Methylcyclohexylamine hydrochloride, (1S,2S)- MFCD31706012 076LMZ48JE

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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