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CAS 101-96-2 N,N’-Di-sec-butyl-1,4-phenylenediamine molecular structure lightbox
CAS RN: 101-96-2

N,N’-Di-sec-butyl-1,4-phenylenediamine

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260629 5ml / 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251228 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250319 1kg In stock Shanghai Inquiry
Batchno.20250318 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250523 25ml / 100ml / 500ml Out of stock 8-10 business days Inquiry
Batchno.20250327 500g In stock Shanghai Inquiry
Batchno.20260218 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-001839
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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: 100g
  • Available purity: ＞97%
  • 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 101-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

101-96-2 / 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine

N,N'-Di-sec-butyl-p-phenylenediamine | Antioxidant 22 | Tenamene 2

Standard CAS: 101-96-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-96-2
Multi CAS
Yes
Molecular Formula
C14H24N2
Molecular Weight
220.350000
Exact Mass
220.193949
SMILES
CCC(C)NC1=CC=C(C=C1)NC(C)CC
InChI
InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
InChIKey
FSWDLYNGJBGFJH-UHFFFAOYSA-N
Synonyms
N,N'-Di-sec-butyl-p-phenylenediamine Antioxidant 22 Tenamene 2 Topanol M Kerobit BPD

Physical Properties

Melting Point
64 °F (NTP, 1992) 18 °C
Boiling Point
98 °C @ 26.6 Pa
Density
0.94 to 0.95 at 75 °F (NTP, 1992) 0.94 kg/l @ 20 °C
Physical Description
N,n'-di-sec-butyl-p-phenylenediamine appears as amber to red or dark reddish black liquid. (NTP, 1992) Liquid Pale yellow or amber to red liquid; mp = 18 deg C; [HSDB] Dark red liquid
Appearance
Amber to red liquid Reddish-brown liquid Pale yellow oil
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.19
TPSA
24.06

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
4.5
Consensus LogP
4.08
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (17.8%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (95.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (99%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (87.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501

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