1- (Hydroxymethyl) azepan-2-one

CAT: 0926-NAA08864-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-NAA08864-01Size:0.5 g

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CAS Number

13088-64-7

MDL Number

MFCD00625528

Smiles

C1CCC (=O) N (CC1) CO

Molecular Formula

C7H13NO2

Molecular Weight

143.18 g/mol

Controlled

Chemical Information

2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-

CAS Number	13088-64-7
PubChem CID	83127
IUPAC Name	1-(hydroxymethyl)azepan-2-one
Molecular Formula	C7H13NO2
Molecular Weight	143.18
XLogP	0.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

C1CCC(=O)N(CC1)CO

InChI

InChI=1S/C7H13NO2/c9-6-8-5-3-1-2-4-7(8)10/h9H,1-6H2

InChIKey

QBUDWHWPQWURCC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13088-64-7

CID: 83127

Formula: C7H13NO2

MW: 143.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.18
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	143.094628657
Monoisotopic Mass	143.094628657
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
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
GWC90059-01	3- (Hydroxymethyl) azepan-2-one
NBA44692-01	5- (Hydroxymethyl) azepan-2-one
VBA88943-01	1- (2-Hydroxyethyl) azepan-2-one
BAA00684-01	3- (2-Hydroxyethyl) azepan-2-one
HWB73552-01	2- (Azepan-1-yl) cyclohexan-1-one
FJC77119-01	3-{[4- (1-Hydroxyethyl) phenyl]sulfanyl}azepan-2-one
BCA06858-01	1- (Azepan-1-yl) -2-hydroxyethan-1-one
NDA83317-01	3- (Benzylsulfanyl) azepan-2-one
UYB82796-01	1- (Azepan-4-yl) pyrrolidin-2-one
JBD31654-01	5- (Piperazin-1-yl) azepan-2-one

Catalog	Name
sc-273110	1- (hydroxymethyl) azepan-2-one
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OR95136-01	4- (Hydroxymethyl) oxolan-2-one
OR91610-01	5- (Hydroxymethyl) oxazolidin-2-one
OR74907-01	5- (Hydroxymethyl) pyrrolidin-2-one
OR84299	6- (Hydroxymethyl) piperidin-2-one
OR525653-01	3- (Hydroxymethyl) piperidin-2-one
OR922566-01	2- (Hydroxymethyl) cyclobutan-1-one