[email protected]
CAS 108963-20-8 N,N’-Dibenzyl-3-aminopyrrolidine molecular structure lightbox
CAS RN: 108963-20-8

N,N’-Dibenzyl-3-aminopyrrolidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-010147
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: 25g
  • Available purity: ≥95%
  • 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 108963-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

108963-20-8 / N,1-dibenzylpyrrolidin-3-amine

N,N'-Dibenzyl-3-aminopyrrolidine | RefChem:821881 | 678-106-7

Standard CAS: 108963-20-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108963-20-8
Multi CAS
No
Molecular Formula
C18H22N2
Molecular Weight
266.400000
Exact Mass
266.178299
SMILES
C1CN(CC1NCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKey
BHEXKVGLZMEJRQ-UHFFFAOYSA-N
Synonyms
N,N'-Dibenzyl-3-aminopyrrolidine RefChem:821881 678-106-7 N,1-dibenzylpyrrolidin-3-amine MFCD00059060

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.41
TPSA
15.27

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us