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CAS 100707-54-8 Methyl 4-Aminocyclohexanecarboxylate Hydrochloride (cis- and trans- mixture) molecular structure lightbox
CAS RN: 100707-54-8

Methyl 4-Aminocyclohexanecarboxylate Hydrochloride (cis- and trans- mixture)

Product Availability

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8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260110 1g In stock Inquiry
Batchno.20260602 250mg Out of stock Inquiry
Batchno.20251124 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250618 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250708 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260612 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251216 25g Out of stock Inquiry
Batchno.20250702 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-001387
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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 100707-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

100707-54-8 / methyl 4-aminocyclohexane-1-carboxylate;hydrochloride

Methyl 4-Aminocyclohexanecarboxylate Hydrochloride | methyl (1r,4r)-4-aminocyclohexane-1-carboxylate hydrochloride | methyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride

Standard CAS: 100707-54-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100707-54-8
Multi CAS
No
Molecular Formula
C8H16ClNO2
Molecular Weight
193.670000
Exact Mass
193.086956
SMILES
COC(=O)C1CCC(CC1)N.Cl
InChI
InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-2-4-7(9)5-3-6;/h6-7H,2-5,9H2,1H3;1H
InChIKey
NHAYDXCUCXRAMF-UHFFFAOYSA-N
Synonyms
Methyl 4-Aminocyclohexanecarboxylate Hydrochloride methyl (1r,4r)-4-aminocyclohexane-1-carboxylate hydrochloride methyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride RefChem:811899 801-597-8

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.2
TPSA
52.32

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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