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CAS 105293-89-8 N,N-Dipropyl-1,4-phenylenediamine molecular structure lightbox
CAS RN: 105293-89-8

N,N-Dipropyl-1,4-phenylenediamine

  • Product code: SSC-007036
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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: 1g
  • Available purity: ≥95%
  • 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 105293-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

105293-89-8 / 4-N,4-N-dipropylbenzene-1,4-diamine

N1,N1-Dipropylbenzene-1,4-diamine | n,n-dipropyl-1,4-phenylenediamine | N-1-,N-1-Dipropyl-1,4-benzenediamine

Standard CAS: 105293-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105293-89-8
Multi CAS
No
Molecular Formula
C12H20N2
Molecular Weight
192.300000
Exact Mass
192.162649
SMILES
CCCN(CCC)C1=CC=C(C=C1)N
InChI
InChI=1S/C12H20N2/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKey
UOWYGPTYSRURDP-UHFFFAOYSA-N
Synonyms
N1,N1-Dipropylbenzene-1,4-diamine n,n-dipropyl-1,4-phenylenediamine N-1-,N-1-Dipropyl-1,4-benzenediamine N,N-dipropylbenzene-1,4-diamine MFCD09044836

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.65
TPSA
29.26

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-1.84

Drug-likeness / Medicinal Chemistry

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

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