Azepan-2-one oxime

CAT: 0127-OR23978-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR23978-01Size:1 g

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CAS Number

19214-08-5

MDL Number

MFCD00053062

Purity

=95%

Smiles

O\N=C\1/CCCCCN1

Chemical Information

Azepan-2-one oxime

CAS Number	19214-08-5
PubChem CID	1810625
IUPAC Name	N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
Molecular Formula	C6H12N2O
Molecular Weight	128.17
XLogP	-0.3
Topological Polar Surface Area	44.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	112

SMILES

C1CCC(=NCC1)NO

InChI

InChI=1S/C6H12N2O/c9-8-6-4-2-1-3-5-7-6/h9H,1-5H2,(H,7,8)

InChIKey

PPOHPUOKXMNCCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19214-08-5

CID: 1810625

Formula: C6H12N2O

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	128.094963011
Monoisotopic Mass	128.094963011
Topological Polar Surface Area	44.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	112
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
sc-278712	Azepan-2-one oxime
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