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CAS 13310-75-3 2-PROPYLVALERONITRILE molecular structure lightbox
CAS RN: 13310-75-3

2-PROPYLVALERONITRILE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-039795
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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: 1g, 10g, 5g, 0.25g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 13310-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Hong Kong Inquiry
10g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

13310-75-3 / 2-propylpentanenitrile

Standard CAS: 13310-75-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13310-75-3
Multi CAS
No
Molecular Formula
C8H15N
Molecular Weight
125.210000
Exact Mass
125.120449
SMILES
CCCC(CCC)C#N
InChI
InChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3
InChIKey
YCBOPMITSGZJDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
38.92
TPSA
23.79

LogP / Solubility

WLOGP
2.73
MLOGP
2.39
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-1.55

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (60%): Flammable liquid and vapor [Warning Flammable liquids] H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P301+P317, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501

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