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CAS 693-05-0 3-(Methylamino)propionitrile molecular structure lightbox
CAS RN: 693-05-0

3-(Methylamino)propionitrile

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260507 100g In stock Inquiry
Batchno.20260124 25g In stock Inquiry
Batchno.20260222 500g Out of stock Inquiry
Batchno.20250212 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260506 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250816 1kg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251230 25g In stock Shanghai, Wuhan Inquiry
Batchno.20260331 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250607 500g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-178914
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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: 100g, 500g
  • 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 693-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

693-05-0 / 3-(methylamino)propanenitrile

Standard CAS: 693-05-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
693-05-0
Multi CAS
Yes
Molecular Formula
C4H8N2
Molecular Weight
84.120000
Exact Mass
84.068748
InChI
InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChIKey
UNIJBMUBHBAUET-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.16
TPSA
35.82

LogP / Solubility

WLOGP
0.12
MLOGP
0.09
XLogP3
-0.5
Consensus LogP
-0.1
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very 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)
-3.15

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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