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CAS 1187929-55-0 (R)-methyl morpholine-3-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1187929-55-0

(R)-methyl morpholine-3-carboxylate hydrochloride

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 1g In stock Shanghai Inquiry
Batchno.20260125 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251205 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260430 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1187929-55-0
  • Purity/Analytical Methods: >99.0%
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1187929-55-0 / methyl (3R)-morpholine-3-carboxylate;hydrochloride

methyl morpholine-3-carboxylate hydrochloride | methyl morpholine-3-carboxylate-HCl | MFCD09263285

Standard CAS: 1187929-55-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187929-55-0
Multi CAS
Yes
Molecular Formula
C6H12ClNO3
Molecular Weight
181.620000
Exact Mass
181.050571
SMILES
COC(=O)[C@H]1COCCN1.Cl
InChI
InChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-10-3-2-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1
InChIKey
NSWULSIFJKMWPM-NUBCRITNSA-N
Synonyms
methyl morpholine-3-carboxylate hydrochloride methyl morpholine-3-carboxylate-HCl MFCD09263285 methyl morpholine-3-carboxylate;hydrochloride 3-Morpholinecarboxylic acid, methyl ester, hydrochloride (1:1)

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.87
TPSA
47.56

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.38
XLogP3
-0.43
Consensus LogP
-0.41
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-4.13

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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