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CAS 78449-73-7 (tetrahydro-1H-pyrrolizin-7a(5H)-ylmethyl)amine(SALTDATA: 2HCl) molecular structure lightbox
CAS RN: 78449-73-7

(tetrahydro-1H-pyrrolizin-7a(5H)-ylmethyl)amine(SALTDATA: 2HCl)

  • Product code: SSC-187859
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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: ＞97%
  • 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 78449-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

78449-73-7 / 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine

Standard CAS: 78449-73-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78449-73-7
Multi CAS
Yes
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
InChI
InChI=1S/C8H16N2/c9-7-8-3-1-5-10(8)6-2-4-8/h1-7,9H2
InChIKey
YSMMVKXAJZFXHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.83
TPSA
29.26

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.2
Consensus LogP
0.42
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.17

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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