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CAS 29968-78-3 2-(4-Nitrophenyl)ethylamine Hydrochloride molecular structure lightbox
CAS RN: 29968-78-3

2-(4-Nitrophenyl)ethylamine Hydrochloride

  • Product code: SSC-133469
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 29968-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shenzhen Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
500g ≥98% 4 In Stock Shenzhen Inquiry

29968-78-3 / 2-(4-nitrophenyl)ethanamine;hydrochloride

Standard CAS: 29968-78-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29968-78-3
Multi CAS
Yes
Molecular Formula
C8H11CLN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
InChI
InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H
InChIKey
JVMHULJEYUQYSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.1
TPSA
69.16

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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