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CAS 22823-50-3 Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate molecular structure lightbox
CAS RN: 22823-50-3

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-111085
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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: 25g
  • 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 22823-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

22823-50-3 / N-cyclohexylcyclohexanamine

Standard CAS: 22823-50-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22823-50-3
Multi CAS
No
Molecular Formula
C12H23N
Molecular Weight
181.320000
Exact Mass
181.183050
SMILES
C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKey
XBPCUCUWBYBCDP-UHFFFAOYSA-N

Physical Properties

Melting Point
68 °F (NTP, 1992) -0.1 °C
Boiling Point
492.4 °F at 760 mmHg (NTP, 1992) 255.8 °C @ 760 MM HG 256 °C
Density
0.913 to 0.919 at 59 °F (NTP, 1992) 0.9104 at 25 °C/25 °C Relative density (water = 1): 0.9
Physical Description
Dicyclohexylamine appears as a colorless liquid with a faint fishlike odor. Less dense than water. May be toxic by ingestion. Severely irritates skin, eyes and mucous membranes. Used to make paints, varnishes and detergents. Dry Powder; Liquid Colorless liquid with a faint fishy odor; [HSDB] COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
COLORLESS LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.88
TPSA
12.03

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-1.52

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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