[email protected]
CAS 873651-89-9 trans-4-Aminocyclohexanecarbonitrile molecular structure lightbox
CAS RN: 873651-89-9

trans-4-Aminocyclohexanecarbonitrile

  • Product code: SSC-197214
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 5g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 873651-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry

873651-89-9 / 4-aminocyclohexane-1-carbonitrile

Standard CAS: 873651-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
873651-89-9
Multi CAS
Yes
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
InChI
InChI=1S/C7H12N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-4,9H2
InChIKey
ITGMTNOYOPHQAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.55
TPSA
49.81

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
0.3
Consensus LogP
0.74
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us