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CAS 1235437-44-1 (R)-1-Benzyl-N,N-dimethylpyrrolidin-3-amine molecular structure lightbox
CAS RN: 1235437-44-1

(R)-1-Benzyl-N,N-dimethylpyrrolidin-3-amine

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260507 1g Out of stock Inquiry
Batchno.20250312 250mg Out of stock Inquiry
  • Product code: SSC-027266
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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 1235437-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1235437-44-1 / (3R)-1-benzyl-N,N-dimethylpyrrolidin-3-amine

Standard CAS: 1235437-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1235437-44-1
Multi CAS
No
Molecular Formula
C13H20N2
Molecular Weight
204.310000
Exact Mass
204.162649
SMILES
CN(C)[C@@H]1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1
InChIKey
SOTUMZCQANFRAM-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.81
TPSA
6.48

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
2
Consensus LogP
1.81
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.67

Drug-likeness / Medicinal Chemistry

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

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