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CAS 1172356-50-1 2-METHYLAMINO-1-MORPHOLIN-4-YL-ETHANONE HCL molecular structure lightbox
CAS RN: 1172356-50-1

2-METHYLAMINO-1-MORPHOLIN-4-YL-ETHANONE HCL

  • Product code: SSC-017107
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1172356-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1172356-50-1 / 2-(methylamino)-1-morpholin-4-ylethanone;hydrochloride

2-(methylamino)-1-(morpholin-4-yl)ethan-1-one hydrochloride | RefChem:461279 | 831-462-9

Standard CAS: 1172356-50-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1172356-50-1
Multi CAS
No
Molecular Formula
C7H15ClN2O2
Molecular Weight
194.660000
Exact Mass
194.082205
SMILES
CNCC(=O)N1CCOCC1.Cl
InChI
InChI=1S/C7H14N2O2.ClH/c1-8-6-7(10)9-2-4-11-5-3-9;/h8H,2-6H2,1H3;1H
InChIKey
VODZMSSGYONLOC-UHFFFAOYSA-N
Synonyms
2-(methylamino)-1-(morpholin-4-yl)ethan-1-one hydrochloride RefChem:461279 831-462-9 MFCD08060102 2-(Methylamino)-1-morpholinoethanone hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.57
TPSA
41.57

LogP / Solubility

WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.51
Consensus LogP
-0.49
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.27

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)
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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