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CAS 10483-15-5 5-Amino-2-methylvaleronitrile molecular structure lightbox
CAS RN: 10483-15-5

5-Amino-2-methylvaleronitrile

  • Product code: SSC-006552
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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: 0.25g
  • 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 10483-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shanghai Inquiry

10483-15-5 / 5-amino-2-methylpentanenitrile

5-Amino-2-methylpentanenitrile | DTXSID40626743 | RefChem:300983

Standard CAS: 10483-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10483-15-5
Multi CAS
No
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
SMILES
CC(CCCN)C#N
InChI
InChI=1S/C6H12N2/c1-6(5-8)3-2-4-7/h6H,2-4,7H2,1H3
InChIKey
DLFMLSXCXIQDGZ-UHFFFAOYSA-N
Synonyms
5-Amino-2-methylpentanenitrile DTXSID40626743 RefChem:300983 DTXCID70577496 5-Amino-2-methylvaleronitrile

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
33.07
TPSA
49.81

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
0.3
Consensus LogP
0.65
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.78

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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