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CAS 103546-10-7 3-(2-Nitrophenoxy)propylamine molecular structure lightbox
CAS RN: 103546-10-7

3-(2-Nitrophenoxy)propylamine

  • Product code: SSC-005128
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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: 5g
  • 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 103546-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

103546-10-7 / 3-(2-nitrophenoxy)propan-1-amine

3-(2-NITROPHENOXY)PROPYLAMINE | 3-(2-nitrophenoxy)propan-1-amine | MFCD09923513

Standard CAS: 103546-10-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103546-10-7
Multi CAS
Yes
Molecular Formula
C9H12N2O3
Molecular Weight
196.200000
Exact Mass
196.084792
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCCCN
InChI
InChI=1S/C9H12N2O3/c10-6-3-7-14-9-5-2-1-4-8(9)11(12)13/h1-2,4-5H,3,6-7,10H2
InChIKey
OWYFLIFPPODJGL-UHFFFAOYSA-N
Synonyms
3-(2-NITROPHENOXY)PROPYLAMINE 3-(2-nitrophenoxy)propan-1-amine MFCD09923513 3-(2-nitrophenoxy)-1-Propanamine 3-(2-nitrophenoxy)-propylamine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.26
TPSA
78.39

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.1
Consensus LogP
1.19
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.98

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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