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CAS 768-52-5 N-Isopropylaniline molecular structure lightbox
CAS RN: 768-52-5

N-Isopropylaniline

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 10g In stock Shanghai Inquiry
Batchno.20250603 1kg Out of stock 8-10 business days Inquiry
Batchno.20250505 250g In stock Shanghai, Shandong Inquiry
Batchno.20250614 50g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-186214
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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: 100g, 25g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 768-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 3 In Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

768-52-5 / N-propan-2-ylaniline

Standard CAS: 768-52-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
768-52-5
Multi CAS
Yes
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
InChI
InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
FRCFWPVMFJMNDP-UHFFFAOYSA-N

Physical Properties

Melting Point
-58 °F (NIOSH, 2024) -32 °C -58 °F
Boiling Point
397 to 399 °F at 760 mmHg (NTP, 1992) 203 °C @ 760 mm Hg 203-204 °C 397 °F
Density
0.93 at 60 °F (NIOSH, 2024) - Less dense than water; will float 0.9526 g/cu cm Density (at 25 °C): 0.93 g/cm³ 0.93 at 60 °F (60 °F): 0.93
Physical Description
N-isopropylaniline is a clear brown liquid. (NTP, 1992) Clear, yellowish liquid with a sweet, aromatic odor; [NIOSH] YELLOW LIQUID. Clear, yellowish liquid with a sweet, aromatic odor.
Appearance
Yellowish liquid Clear, yellowish liquid.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.2
TPSA
12.03

LogP / Solubility

WLOGP
2.51
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-1.76

Drug-likeness / Medicinal Chemistry

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

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