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CAS 701-56-4 (4-METHOXY-PHENYL)-DIMETHYL-AMINE molecular structure lightbox
CAS RN: 701-56-4

(4-METHOXY-PHENYL)-DIMETHYL-AMINE

  • Product code: SSC-179902
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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: 5g
  • 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 701-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

701-56-4 / 4-methoxy-N,N-dimethylaniline

Standard CAS: 701-56-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
701-56-4
Multi CAS
Yes
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
InChI
InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3
InChIKey
ZTKDMNHEQMILPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.32
TPSA
12.47

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
2.3
Consensus LogP
1.87
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.39

Drug-likeness / Medicinal Chemistry

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

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