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CAS 122779-42-4 Benzenemethanamine, 4-(dimethylamino)-α-methyl-, (R)- (9CI) molecular structure lightbox
CAS RN: 122779-42-4

Benzenemethanamine, 4-(dimethylamino)-α-methyl-, (R)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 1g Out of stock 15 business days Inquiry
  • Product code: SSC-026262
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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 122779-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

122779-42-4 / 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride

Standard CAS: 122779-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122779-42-4
Multi CAS
No
Molecular Formula
C10H18Cl2N2
Molecular Weight
237.170000
Exact Mass
236.084704
SMILES
C[C@H](C1=CC=C(C=C1)N(C)C)N.Cl.Cl
InChI
InChI=1S/C10H16N2/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-8H,11H2,1-3H3/t8-/m1/s1
InChIKey
VDOKYXHLVQGSJQ-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.87
TPSA
29.26

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.62
Consensus LogP
2.52
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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