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CAS 561297-86-7 C-[1-(4-NITRO-PHENYL)-CYCLOPROPYL]-METHYLAMINE molecular structure lightbox
CAS RN: 561297-86-7

C-[1-(4-NITRO-PHENYL)-CYCLOPROPYL]-METHYLAMINE

  • Product code: SSC-164098
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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 561297-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

561297-86-7 / [1-(4-nitrophenyl)cyclopropyl]methanamine

Standard CAS: 561297-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
561297-86-7
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
InChI
InChI=1S/C10H12N2O2/c11-7-10(5-6-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7,11H2
InChIKey
MKZDCGZJAOPNMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.06
TPSA
69.16

LogP / Solubility

WLOGP
1.59
MLOGP
1.39
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.77

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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