1,4-Oxazepane

CAT: 0127-OR322438-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR322438-01Size:250 mg

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CAS Number

5638-60-8

MDL Number

MFCD09971804

Purity

97%

Smiles

C1CNCCOC1

Chemical Information

1,4-Oxazepane

CAS Number	5638-60-8
PubChem CID	21873275
IUPAC Name	1,4-oxazepane
Molecular Formula	C5H11NO
Molecular Weight	101.15
XLogP	-0.2
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	47

SMILES

C1CNCCOC1

InChI

InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2

InChIKey

ZNGWEEUXTBNKFR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5638-60-8

CID: 21873275

Formula: C5H11NO

MW: 101.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	101.15
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	101.084063974
Monoisotopic Mass	101.084063974
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	47.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1041045-01	4- (1,4-Oxazepan-4-yl) benzaldehyde
OR1002405-01	1,4-Oxazepan-3-one
OR46126-01	1,4-Oxazepan-5-one
OR1055815-01	4-Benzyl-1,4-oxazepan-3-one
OR1075716-01	4-Methyl-1,4-oxazepan-6-amine
OR86520-01	4-Benzyl-1,4-oxazepan-6-ol
OR1045964-01	(R) -4-Benzyl-1,4-oxazepan-6-ol
OR1051924-01	(4-Benzyl-1,4-oxazepan-2-yl) methanamine
OR78846-01	(S) -4-Benzyl-1,4-oxazepan-6-ol
OR1006221	3- (1,4-Oxazepan-4-yl) propan-1-ol hydrochloride

Catalog	Name
JH344912	1,4-oxazepane
JH180307	1,4-oxazepane, hydrochloride
sc-304096	1,4-Oxazepane hydrochloride
BAC29293-01	1,4-Oxazepane-4-sulfonamide
UAA34452-01	4-Benzyl-1,4-oxazepane
FM133973-01	2-Methyl-1,4-oxazepane
YXC94390-01	6-Ethyl-1,4-oxazepane
AYB79809-01	1,4-Oxazepane-4-sulfonyl chloride
IMB70570-01	5-Phenyl-1,4-oxazepane
FWB16641-01	2-Ethyl-1,4-oxazepane