4-Methyl-1,4-diazepan-2-one

CAT: 0926-ZAA28684-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZAA28684-01Size:50 mg

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CAS Number

24286-84-8

MDL Number

MFCD19160702

Smiles

CN1CCCNC (=O) C1

Molecular Formula

C6H12N2O

Molecular Weight

128.17 g/mol

Controlled

Chemical Information

4-Methyl-1,4-diazepan-2-one

CAS Number	24286-84-8
PubChem CID	12236517
IUPAC Name	4-methyl-1,4-diazepan-2-one
Molecular Formula	C6H12N2O
Molecular Weight	128.17
XLogP	-0.3
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	114

SMILES

CN1CCCNC(=O)C1

InChI

InChI=1S/C6H12N2O/c1-8-4-2-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9)

InChIKey

AIRVCSGEUIGZQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24286-84-8

CID: 12236517

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	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.094963011
Monoisotopic Mass	128.094963011
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
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
SIA97305-01	3-Methyl-1,4-diazepan-2-one
TEC42286-01	1-[ (4-Methoxyphenyl) methyl]-1,4-diazepan-2-one
KCB85901-01	1-Methyl-1,4-diazepan-2-one hydrochloride
DXC59959-01	4-Cyclopropyl-6-methyl-1,4-diazepan-2-one
ZDA82250-01	1,4-Diazepan-2-one
DFA42725-01	(3S) -3-Methyl-1,4-diazepan-2-one
FDD53016-01	4-Methyl-1,4-diazepan-5-one dihydrochloride
QDA67337-01	7-Methyl-1,4-diazepan-5-one
WBA29468-01	4-Phenyl-1,4-diazepan-2-one
XWC53507-01	4-Cyclopropyl-1,4-diazepan-2-one

Catalog	Name
abx188133	1-Methyl-1,4-Diazepan-2-One
OR1003753-01	4-Methyl-1,4-diazepan-5-one
OR943689-01	1,4-Diazepan-2-one
OR1057440-01	4-Methyl-1,4-diazepan-5-one hydrochloride
sc-348074	4- (4-methoxyphenyl) -1,4-diazepan-2-one
sc-348097	4- (4-methylphenyl) -1,4-diazepan-2-one
sc-261563	4-[ (4-Methyl-1,4-diazepan-1-yl) methyl]benzaldehyde
OR1069632-01	1,4-Diazepan-2-one hydrochloride
OR1045288-01	1-Methyl-1,4-diazepan-5-one hydrochloride
sc-348082A	4- (4-methyl-1,4-diazepan-1-yl) aniline