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CAS 4553-62-2 2-Methylglutaronitrile molecular structure lightbox
CAS RN: 4553-62-2

2-Methylglutaronitrile

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260414 100g In stock Inquiry
Batchno.20250103 25g In stock Inquiry
Batchno.20250217 500g In stock Inquiry
Batchno.20251116 5g In stock Inquiry
  • Product code: SSC-153286
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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
  • 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 4553-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

4553-62-2 / 2-methylpentanedinitrile

Standard CAS: 4553-62-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4553-62-2
Multi CAS
No
Molecular Formula
C6H8N2
Molecular Weight
108.140000
Exact Mass
108.068748
InChI
InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
InChIKey
FPPLREPCQJZDAQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
257 to 266 °F at 10 mmHg (NTP, 1992)
Density
0.95 at 68 °F (NTP, 1992) - Less dense than water; will float
Physical Description
D,l-2-methylglutaronitrile is an amber liquid. (NTP, 1992) Liquid A colorless, odorless liquid; [ChemIDplus] Amber liquid; [CAMEO] Deep brown clear liquid
Appearance
Liquid at ambient temperatures.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
29.62
TPSA
47.58

LogP / Solubility

WLOGP
1.45
MLOGP
1.26
XLogP3
0.5
Consensus LogP
1.07
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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