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CAS 173336-43-1 2-METHYL-2-MORPHOLIN-4-YL-PROPYLAMINE molecular structure lightbox
CAS RN: 173336-43-1

2-METHYL-2-MORPHOLIN-4-YL-PROPYLAMINE

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Batchno.20260126 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS173336-43-1
  • Purity/Analytical Methods: >99.0%
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173336-43-1 / 2-methyl-2-morpholin-4-ylpropan-1-amine

Standard CAS: 173336-43-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
173336-43-1
Multi CAS
No
Molecular Formula
C8H18N2O
Molecular Weight
158.240000
Exact Mass
158.141913
SMILES
CC(C)(CN)N1CCOCC1
InChI
InChI=1S/C8H18N2O/c1-8(2,7-9)10-3-5-11-6-4-10/h3-7,9H2,1-2H3
InChIKey
GFIBMQGRHYGHAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.53
TPSA
38.49

LogP / Solubility

WLOGP
0.06
MLOGP
0.04
XLogP3
-0.4
Consensus LogP
-0.1
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

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

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