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2-(Chloromethyl)morpholine

HCID 10240859
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
122894-70-6
Standard SMILES
ClCC1CNCCO1
InChIKey
DFFKLRFMZMGFBM-UHFFFAOYSA-N
Molecular formula
C5H10ClNO
Average molar mass
135.59 g/mol
Monoisotopic mass
135.0450916

Names & identifiers

Preferred name
2-(Chloromethyl)morpholine
IUPAC
2-(chloromethyl)morpholine
English name
2-(chloromethyl)morpholine
Molecular formula
C5H10ClNO
Molecular weight
135.59

Names & synonyms

2-(chloromethyl)morpholine122894-70-62-chloromethylmorpholineMorpholine, 2-(chloromethyl)-MFCD192166052-chloromethyl-morpholineSCHEMBL907341SCHEMBL7465917DFFKLRFMZMGFBM-UHFFFAOYSA-NAKOS006350879NCGC00666110-01DB-355979
Show more names
EN300-148369F13328

Database identifiers

CAS
122894-70-6
PubChem CID
10240859

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
69.4

Physicochemical properties

Boiling point
205.1 · 205.1±20.0 °C(Predicted)
Density
1.076 · 1.076±0.06 g/cm3(Predicted)
pka
8.33 · 8.33±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

4-Morpholinecarboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester

Related reactions

2 records
New reaction record
HRID 477855 reaction equation
HRID 477855As reactantuspto-grants-1989_12
HRID 1547370 reaction equation
HRID 1547370As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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