[email protected]
CAS 1145-73-9 4-(Dimethylamino)stilbene molecular structure lightbox
CAS RN: 1145-73-9

4-(Dimethylamino)stilbene

  • Product code: SSC-014264
GET A QUOTE
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: ≥99%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1145-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥99% 0 Out of Stock Shenzhen Inquiry

1145-73-9 / N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline

DTXSID20871810 | N,N-Dimethyl-4-(2-phenylethenyl)benzenamine | RefChem:1090560

Standard CAS: 1145-73-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1145-73-9
Multi CAS
Yes
Molecular Formula
C16H17N
Molecular Weight
223.310000
Exact Mass
223.136100
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b9-8+
InChIKey
XGHHHPDRXLIMPM-CMDGGOBGSA-N
Synonyms
DTXSID20871810 N,N-Dimethyl-4-(2-phenylethenyl)benzenamine RefChem:1090560 DTXCID20819434 N,N-Dimethyl-p-styrylaniline

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
76.14
TPSA
3.24

LogP / Solubility

WLOGP
3.92
MLOGP
3.46
XLogP3
4.6
Consensus LogP
3.99
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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)
-1.3

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us