3- (Bromomethyl) -4-methylmorpholine

CAT: 0127-OR54408Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR54408Size:1 Each

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CAS Number

1602619-43-1

MDL Number

MFCD30297370

Purity

=95%

Smiles

CN1CCOCC1CBr

Chemical Information

3-(Bromomethyl)-4-methylmorpholine

CAS Number	1602619-43-1
PubChem CID	116445645
IUPAC Name	3-(bromomethyl)-4-methylmorpholine
Molecular Formula	C6H12BrNO
Molecular Weight	194.07
XLogP	0.7
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	89

SMILES

CN1CCOCC1CBr

InChI

InChI=1S/C6H12BrNO/c1-8-2-3-9-5-6(8)4-7/h6H,2-5H2,1H3

InChIKey

IYMCQHGVRHEVCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1602619-43-1

CID: 116445645

Formula: C6H12BrNO

MW: 194.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.07
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	193.01023
Monoisotopic Mass	193.01023
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	89.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR16938-01	4-Methylmorpholine
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OR1011614-01	4-Methylmorpholine Hydrochloride
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OR308174-01	(3S) -3-Methylmorpholine
OR1044106-01	Borane 4-methylmorpholine complex
BUP17801	4-Methylmorpholine N-oxide
OR323297-01	4-Methylmorpholine n-oxide
OR1037277-01	4- (Bromomethyl) -3-nitrobenzaldehyde
PC500514-01	3- (Bromomethyl) -4-fluorobenzonitrile

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