(S)-3-Amino-1-ethylazepan-2-one

C₈H₁₆N₂OCAS 206434-45-9156.23 g/mol

Open in Covalent MOL file

Amide Lactam Primary amine

Properties

Molecular formula: C₈H₁₆N₂O
Molar mass: 156.23 g/mol
Exact mass: 156.1263 Da
logP: 0.35Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

206434-45-9

SMILES

CCN1CCCC[C@@H](C1=O)N

InChIKey

KBJPENFOWBANKE-ZETCQYMHSA-N

InChI

InChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1

Weigh it out

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

Work with (S)-3-Amino-1-ethylazepan-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

N-Ethyl-2-pyrrolidone2687-91-440 % similar 2-Aminoheptanoic acid1115-90-838 % similar (±)-2-Aminooctanoic acid644-90-638 % similar 2-Aminohexadecanoic acid7769-79-138 % similar Piperidin-4-yl(pyrrolidin-1-yl)methanone35090-95-037 % similar D-Norleucine327-56-036 % similar Norleucine327-57-136 % similar (±)-Norleucine616-06-836 % similar

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

Same formula

N-[3-(Dimethylamino)propyl]acrylamide3845-76-9 4-(Pyrrolidin-3-yl)morpholine53617-37-1 2-Methyl-1-(piperazin-1-yl)propan-1-one71260-16-7

Elsewhere

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