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CAS 101-72-4 4-Isopropylaminodiphenylamine molecular structure lightbox
CAS RN: 101-72-4

4-Isopropylaminodiphenylamine

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 100g In stock Shanghai Inquiry
Batchno.20260701 1kg Out of stock Inquiry
Batchno.20250930 500g In stock Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251205 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong 8-10 business days Inquiry
  • Product code: SSC-001828
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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: 500g
  • Available purity: ≥98%
  • 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 101-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

101-72-4 / 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

N-Isopropyl-N'-phenyl-p-phenylenediamine | N-isopropyl-N'-phenyl-1,4-phenylenediamine | 4-Isopropylaminodiphenylamine

Standard CAS: 101-72-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-72-4
Multi CAS
Yes
Molecular Formula
C15H18N2
Molecular Weight
226.320000
Exact Mass
226.146999
SMILES
CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
InChIKey
OUBMGJOQLXMSNT-UHFFFAOYSA-N
Synonyms
N-Isopropyl-N'-phenyl-p-phenylenediamine N-isopropyl-N'-phenyl-1,4-phenylenediamine 4-Isopropylaminodiphenylamine Cyzone Nonox ZA

Physical Properties

Melting Point
162 to 169 °F (NTP, 1992) 75 °C 72-76 °C
Boiling Point
322 °F at 1 mmHg (NTP, 1992)
Density
1.04 (NTP, 1992) - Denser than water; will sink 1.04 @ 25 °C 1.04 g/cm³
Physical Description
N-isopropyl-n'-phenyl-p-phenylenediamine appears as dark gray to black flakes or brown-black small chip-like solid with an aromatic odor. (NTP, 1992) Other Solid; Pellets or Large Crystals Dark grey to black solid; [Hawley] Brown, grey, or dark purple to black solid; [CHEMINFO] DARK GREY-TO-BLACK FLAKES.
Appearance
Dark gray to black flakes
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.93
TPSA
24.06

LogP / Solubility

WLOGP
4.25
MLOGP
3.74
XLogP3
4
Consensus LogP
4
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P308+P316, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P308+P316, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P308+P316, P319, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501

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