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CAS 2134-48-7 2-Aminopropionitrile molecular structure lightbox
CAS RN: 2134-48-7

2-Aminopropionitrile

  • Product code: SSC-101879
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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 2134-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2134-48-7 / 2-aminopropanenitrile

Standard CAS: 2134-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2134-48-7
Multi CAS
No
Molecular Formula
C3H6N2
Molecular Weight
70.090000
Exact Mass
70.053098
SMILES
CC(C#N)N
InChI
InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3
InChIKey
UAMZETBJZRERCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
1
Molar refractivity
19.26
TPSA
49.81

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.14
XLogP3
-0.5
Consensus LogP
-0.26
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Class (SILICOS-IT)
Highly 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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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