[email protected]
CAS 936255-80-0 2-(Aminomethyl)-N1,N1-dimethylpropane-1,3-diamine trihydrochloride molecular structure lightbox
CAS RN: 936255-80-0

2-(Aminomethyl)-N1,N1-dimethylpropane-1,3-diamine trihydrochloride

  • Product code: SSC-207957
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: 1g
  • 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 936255-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

936255-80-0 / 2-(aminomethyl)-N',N'-dimethylpropane-1,3-diamine;trihydrochloride

Standard CAS: 936255-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936255-80-0
Multi CAS
No
Molecular Formula
C6H20CL3N3
Molecular Weight
240.600000
Exact Mass
239.072281
InChI
InChI=1S/C6H17N3.3ClH/c1-9(2)5-6(3-7)4-8;;;/h6H,3-5,7-8H2,1-2H3;3*1H
InChIKey
BWFJVNLOCHXGEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.9
TPSA
55.28

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.35
Consensus LogP
0.34
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-3.94

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us