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CAS 646-02-6 Aminoethyl nitrate molecular structure lightbox
CAS RN: 646-02-6

Aminoethyl nitrate

  • Product code: SSC-174312
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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 646-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

646-02-6 / 2-aminoethyl nitrate

Standard CAS: 646-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
646-02-6
Multi CAS
No
Molecular Formula
C2H6N2O3
Molecular Weight
106.080000
Exact Mass
106.037842
InChI
InChI=1S/C2H6N2O3/c3-1-2-7-4(5)6/h1-3H2
InChIKey
KZTZJUQNSSLNAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
22
TPSA
78.39

LogP / Solubility

WLOGP
-0.85
MLOGP
-0.76
XLogP3
-0.4
Consensus LogP
-0.67
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.97

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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