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CAS 50998-07-7 2-Pyrrolidin-1-yl-propylamine molecular structure lightbox
CAS RN: 50998-07-7

2-Pyrrolidin-1-yl-propylamine

  • Product code: SSC-157739
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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: ≥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 50998-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

50998-07-7 / (2R)-2-pyrrolidin-1-ylpropan-1-amine

Standard CAS: 50998-07-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50998-07-7
Multi CAS
Yes
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
InChI
InChI=1S/C7H16N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-6,8H2,1H3
InChIKey
GUHQLUWDOMXRGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.32
TPSA
29.26

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
XLogP3
0.2
Consensus LogP
0.33
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-3.2

Drug-likeness / Medicinal Chemistry

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

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