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CAS 137505-39-6 2-Morpholinemethanamine, 4-methyl-, dihydrochloride, (R)- molecular structure lightbox
CAS RN: 137505-39-6

2-Morpholinemethanamine, 4-methyl-, dihydrochloride, (R)-

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  • Product code: starshine_CAS137505-39-6
  • Purity/Analytical Methods: >99.0%
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137505-39-6 / [(2R)-4-methylmorpholin-2-yl]methanamine;dihydrochloride

Standard CAS: 137505-39-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
137505-39-6
Multi CAS
No
Molecular Formula
C6H16Cl2N2O
Molecular Weight
203.110000
Exact Mass
202.063969
SMILES
CN1CCO[C@@H](C1)CN.Cl.Cl
InChI
InChI=1S/C6H14N2O.2ClH/c1-8-2-3-9-6(4-7)5-8;;/h6H,2-5,7H2,1H3;2*1H/t6-;;/m1../s1
InChIKey
ARVGPZSZOJPAFK-QYCVXMPOSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.79
TPSA
38.49

LogP / Solubility

WLOGP
0.12
MLOGP
0.11
XLogP3
0.12
Consensus LogP
0.12
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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