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CAS 58196-47-7 3-(CYCLOPROPYLAMINO)PROPIONITRILE molecular structure lightbox
CAS RN: 58196-47-7

3-(CYCLOPROPYLAMINO)PROPIONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-166436
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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 58196-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

58196-47-7 / 3-(cyclopropylamino)propanenitrile

Standard CAS: 58196-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58196-47-7
Multi CAS
No
Molecular Formula
C6H10N2
Molecular Weight
110.160000
Exact Mass
110.084398
InChI
InChI=1S/C6H10N2/c7-4-1-5-8-6-2-3-6/h6,8H,1-3,5H2
InChIKey
OZHWHTICSNFGBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.25
TPSA
35.82

LogP / Solubility

WLOGP
0.65
MLOGP
0.56
XLogP3
0.6
Consensus LogP
0.6
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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