3-Amino-2-cyclohexen-1-one
Properties
- Molecular formula
- C6H9NO
- Molar mass
- 111.14 g/mol
- Exact mass
- 111.0684 Da
- Melting point
- 126–131 °C
- logP
- 0.58Crippen estimate
- Polar surface area
- 43.1 Ų
- 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 irritation97.8% of notifiers
Aggregated from 46 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
5220-49-5SMILES
NC1=CC(=O)CCC1InChIKey
ZZMRPOAHZITKBV-UHFFFAOYSA-NInChI
InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-Cyclohexen-1-one, 3-amino-
- 3-Amino-2-cyclohexene-1-one
- NSC 106700
- 3-Aminocyclohex-2-en-1-one
- 1-Amino-3-oxo-1-cyclohexene
Work with 3-Amino-2-cyclohexen-1-one
Similar compounds
3-Methyl-2-cyclohexen-1-one1193-18-648 % similar
3-Ethoxycyclohex-2-ene-1-one5323-87-542 % similar
3-Acetoxy-2-cyclohexen-1-one57918-73-742 % similar
3-Amino-5,5-dimethyl-2-cyclohexen-1-one873-95-042 % similar
3-(Phenylamino)-2-cyclohexen-1-one24706-50-136 % similar
3-Methyl-2-cyclopenten-1-one2758-18-136 % similar
Cyclohexenone930-68-736 % similar
2-Cyclohepten-1-one1121-66-034 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds