chempirical

3-Aminoazepan-2-one

C6H12N2OCAS 671-42-1128.18 g/mol

Open in Covalent MOL file
H2NNHO
Primary amine

Properties

Molecular formula
C6H12N2O
Molar mass
128.18 g/mol
Exact mass
128.0950 Da
Melting point
68–69 °C
Boiling point
165–168 °C (at 12 Torr)
logP
0.45Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
671-42-1
SMILES
NC1CCCCN=C1O
InChIKey
BOWUOGIPSRVRSJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 2H-Azepin-2-one, 3-aminohexahydro-
  • 3-Aminohexahydro-2H-azepin-2-one
  • α-Amino-ε-caprolactam
  • 3-Amino-1-azacycloheptan-2-one
  • α-Aminocaprolactam
  • 3-Aminoperhydro-2-azepinone
  • 3-Amino-ε-caprolactam
  • DL-α-Amino-ε-caprolactam
  • DL-α-Aminocaprolactam
  • (±)-α-Amino-ε-caprolactam
  • (±)-α-Aminocaprolactam
  • 3-Amino-2-oxohomopiperidine
  • NSC 522223
  • 2-Oxoazepan-3-amine

Work with 3-Aminoazepan-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Amino-2-piperidinone1892-22-488 % similar Acetyllysine692-04-649 % similar N6-(2,2,2-Trifluoroacetyl)-L-lysine10009-20-845 % similar Nε-formyl-L-lysine1190-48-342 % similar N-Lauroyl-L-lysine52315-75-041 % similar D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)201007-86-539 % similar L-Methionylglycine14486-03-439 % similar Diaminopimelic acid583-93-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(5S)-1,5-Dimethylpiperazin-2-one1068149-94-9 N-(3S)-3-Pyrrolidinylacetamide114636-31-6 (3R)-(+)-3-Acetamidopyrrolidine131900-62-4 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 3-Aminoazepan-2-one17929-90-7 3,3-Dimethyl-2-piperazinone22476-74-0 4-Piperidinecarboxamide39546-32-2

Elsewhere

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