1-Methylazepan-4-one

CAT: 0127-OR1074107-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1074107-01Size:100 mg

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CAS Number

1859-33-2

MDL Number

MFCD03426977

Purity

98%

Smiles

CN1CCCC(CC1)=O

Chemical Information

1-Methylazepan-4-one

CAS Number	1859-33-2
PubChem CID	262586
IUPAC Name	1-methylazepan-4-one
Molecular Formula	C7H13NO
Molecular Weight	127.18
XLogP	0.1
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	111

SMILES

CN1CCCC(=O)CC1

InChI

InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3

InChIKey

HXCVYSRFFKEHEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1859-33-2

CID: 262586

Formula: C7H13NO

MW: 127.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.18
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	127.099714038
Monoisotopic Mass	127.099714038
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	111
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
OR24564-01	1-methylazepan-2-one
OR1064090-01	5-Methylazepan-4-one hydrochloride
OR921765	4-Methylazepan-4-ol hydrochloride
OR24565	7-Ethyl-1-methylazepan-2-one
OR1067387-01	N'- (1-Methylazepan-4-yl) benzohydrazide hydrochloride
OR77145-01	(S) -3-Amino-1-methylazepan-2-one hydrochloride
OR110002	3-Ethyl-3- (3-hydroxyphenyl) -1-methylazepan-2-one
OR1068661-01	4- (((3- (3-Ethyl-1-methylazepan-3-yl) phenoxy) carbonyl) amino) benzoic acid compound with maleic acid (1:1)
PC7922-01	4,4-Difluorocyclohexan-1-one
OR22809	4,4-Dipropylcyclohexan-1-one

Catalog	Name
TRC-M288680-5G	1-Methylazepan-4-one
1228450-23-4-01	5-Methylazepan-4-One Hydrochloride
GCA51523-01	3-Methylazepan-4-one Hydrochloride
HY-W098448S-01	1-Methylazepan-2-one-d3
282685-01	N'- (1-Methylazepan-4-yl) benzohydrazine
sc-482862	N′- (1-Methylazepan-4-yl) benzohydrazine
RDA77453	4-Methylazepan-4-ol hydrochloride
UTD67760-01	6-Hydroxy-1-methylazepan-2-one
sc-358008A	7-Ethyl-1-methylazepan-2-one
QDC20711-01	N-Methylazepan-4-amine