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CAS 17238-55-0 MORPHOLINE-4-CARBOXAMIDINE HEMISULFATE molecular structure lightbox
CAS RN: 17238-55-0

MORPHOLINE-4-CARBOXAMIDINE HEMISULFATE

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250305 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS17238-55-0
  • Purity/Analytical Methods: >99.0%
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17238-55-0 / bis(morpholine-4-carboximidamide);sulfuric acid

Standard CAS: 17238-55-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17238-55-0
Multi CAS
No
Molecular Formula
C10H24N6O6S
Molecular Weight
356.400000
Exact Mass
356.147804
SMILES
C1COCCN1C(=N)N.C1COCCN1C(=N)N.OS(=O)(=O)O
InChI
InChI=1S/2C5H11N3O.H2O4S/c2*6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)
InChIKey
NJPXFDGHJDIRKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
6
Molar refractivity
82.79
TPSA
199.28

LogP / Solubility

WLOGP
-2.23
MLOGP
-1.94
XLogP3
-2.23
Consensus LogP
-2.13
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very 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)
-6.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): 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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