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CAS 1374160-25-4 1-N-Boc-2-nitroethanamine molecular structure lightbox
CAS RN: 1374160-25-4

1-N-Boc-2-nitroethanamine

  • Product code: SSC-046958
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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, 1g, 5g, 10g
  • 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 1374160-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

1374160-25-4 / tert-butyl N-(2-nitroethyl)carbamate

Standard CAS: 1374160-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374160-25-4
Multi CAS
No
Molecular Formula
C7H14N2O4
Molecular Weight
190.200000
Exact Mass
190.095357
SMILES
CC(C)(C)OC(=O)NCC[N+](=O)[O-]
InChI
InChI=1S/C7H14N2O4/c1-7(2,3)13-6(10)8-4-5-9(11)12/h4-5H2,1-3H3,(H,8,10)
InChIKey
KDZRVFKODNHSHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.1
TPSA
81.47

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

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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