3-Amino-5,5-dimethyl-2-cyclohexen-1-one

C₈H₁₃NOCAS 873-95-0139.20 g/mol

Open in Covalent MOL file

Alkene Ketone Primary amine

Properties

Molecular formula: C₈H₁₃NO
Molar mass: 139.20 g/mol
Exact mass: 139.0997 Da
Melting point: 167 °C
logP: 1.22Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

873-95-0

SMILES

CC1(C)CC(=O)C=C(N)C1

InChIKey

MTZNODTZOSBYJW-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5,9H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

2-Cyclohexen-1-one, 3-amino-5,5-dimethyl-
3-Amino-1,1-dimethyl-3-cyclohexen-5-one
3-Amino-5,5-dimethylcyclohex-2-enone
NSC 176345

Work with 3-Amino-5,5-dimethyl-2-cyclohexen-1-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

Isophorone78-59-157 % similar 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one17530-69-755 % similar 3-Amino-2-cyclohexen-1-one5220-49-542 % similar Dimedone126-81-837 % similar Ketoisophorone1125-21-936 % similar Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione4160-82-135 % similar 3,3-Dimethylglutaric acid4839-46-735 % similar 4,4-Dimethylpiperidine-2,6-dione1123-40-633 % similar

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

Same formula

7-Cyanoheptanal13050-09-4 Vinylcaprolactam2235-00-9 trans-1-Isocyanato-4-methylcyclohexane32175-00-1 Tropinone532-24-1 1-Cyclopropylpiperidin-4-one62813-01-8

Elsewhere

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