CAS RN: 1432678-91-5
2-IsopropylMorpholine hydrochloride
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS1432678-91-5
- Purity/Analytical Methods: >99.0%
1432678-91-5 / 2-propan-2-ylmorpholine;hydrochloride
Basic Information
CAS
1432678-91-5
Multi CAS
No
Molecular Formula
C7H16ClNO
Molecular Weight
165.660000
Exact Mass
165.092042
SMILES
CC(C)C1CNCCO1.Cl
InChI
InChI=1S/C7H15NO.ClH/c1-6(2)7-5-8-3-4-9-7;/h6-8H,3-5H2,1-2H3;1H
InChIKey
PEVRUEPOMQGBPN-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
44.7
TPSA
21.26
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.98
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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