[email protected]
CAS 52722-52-8 2-(Aminomethyl)propane-1,3-diol molecular structure lightbox
CAS RN: 52722-52-8

2-(Aminomethyl)propane-1,3-diol

  • Product code: SSC-159848
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: 0.1g, 0.25g, 1g, 5g
  • 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 52722-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

52722-52-8 / 2-(aminomethyl)propane-1,3-diol

Standard CAS: 52722-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52722-52-8
Multi CAS
No
Molecular Formula
C4H11NO2
Molecular Weight
105.140000
Exact Mass
105.078979
InChI
InChI=1S/C4H11NO2/c5-1-4(2-6)3-7/h4,6-7H,1-3,5H2
InChIKey
IDUWIXCWGYJVKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
26.72
TPSA
66.48

LogP / Solubility

WLOGP
-1.45
MLOGP
-1.29
XLogP3
-1.8
Consensus LogP
-1.51
Log S (ESOL)
0.62
Class (ESOL)
Highly soluble
Log S (Ali)
0.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.5
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us