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CAS 1159598-86-3 4-Methyl-3-(hydroxyMethyl)Morpholine molecular structure lightbox
CAS RN: 1159598-86-3

4-Methyl-3-(hydroxyMethyl)Morpholine

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260328 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260308 10g In stock Shanghai Inquiry
Batchno.20250527 1g In stock Shanghai Inquiry
Batchno.20260314 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250228 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1159598-86-3
  • Purity/Analytical Methods: >99.0%
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1159598-86-3 / (4-methylmorpholin-3-yl)methanol

(4-methylmorpholin-3-yl)methanol | RefChem:403034 | 856-797-8

Standard CAS: 1159598-86-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159598-86-3
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
CN1CCOCC1CO
InChI
InChI=1S/C6H13NO2/c1-7-2-3-9-5-6(7)4-8/h6,8H,2-5H2,1H3
InChIKey
WXGKNIRSXCAEEP-UHFFFAOYSA-N
Synonyms
(4-methylmorpholin-3-yl)methanol RefChem:403034 856-797-8 4-Methyl-3-(hydroxymethyl)morpholine MFCD26792530

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.32
TPSA
32.7

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.62
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
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)
-4.01

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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