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CAS 146651-75-4 N-(tert-Butoxycarbonyl)-1,2-phenylenediamine molecular structure lightbox
CAS RN: 146651-75-4

N-(tert-Butoxycarbonyl)-1,2-phenylenediamine

  • Product code: SSC-057628
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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: 10g, 1g, 5g, 25g, 100g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 146651-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 5 In Stock Shanghai Inquiry
1g ≥97% 3 In Stock Shenzhen Inquiry
5g ≥97% 3 In Stock Hong Kong Inquiry
25g ≥97% 2 In Stock Shanghai Inquiry
100g ≥97% 2 In Stock Beijing Inquiry
500g ≥97% 1 In Stock Hong Kong Inquiry

146651-75-4 / tert-butyl N-(2-aminophenyl)carbamate

Standard CAS: 146651-75-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
146651-75-4
Multi CAS
No
Molecular Formula
C11H16N2O2
Molecular Weight
208.260000
Exact Mass
208.121178
SMILES
CC(C)(C)OC(=O)NC1=CC=CC=C1N
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey
KCZFBLNQOSFGSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.71
TPSA
64.35

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
1.8
Consensus LogP
2.24
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.13

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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