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CAS 669002-47-5 4-[(dimethylamino)methyl]Benzeneethanamine molecular structure lightbox
CAS RN: 669002-47-5

4-[(dimethylamino)methyl]Benzeneethanamine

  • Product code: SSC-176552
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 669002-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

669002-47-5 / 2-[4-[(dimethylamino)methyl]phenyl]ethanamine

Standard CAS: 669002-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
669002-47-5
Multi CAS
No
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
InChI
InChI=1S/C11H18N2/c1-13(2)9-11-5-3-10(4-6-11)7-8-12/h3-6H,7-9,12H2,1-2H3
InChIKey
SHWRIURLTSBILS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.59
TPSA
29.26

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.1
Consensus LogP
1.15
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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