Pentedrone
Properties
- Molecular formula
- C12H17NO
- Molar mass
- 191.27 g/mol
- Exact mass
- 191.1310 Da
- logP
- 2.26Crippen estimate
- Polar surface area
- 29.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 5
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P270, P271, P284, P301+P317, P304+P340, P319, P330, P342+P316, P403, P403+P233, P405, P501
Identifiers
CAS number
879722-57-3SMILES
CCCC(C(=O)C1=CC=CC=C1)NCInChIKey
WLIWIUNEJRETFX-UHFFFAOYSA-NInChI
InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-(Methylamino)-1-phenylpentan-1-one
- 2-(Methylamino)-1-phenyl-1-Pentanone
- DEA No. 1246
- Beta-Pentedrone
- Alpha-methylaminovalerophenone
- 2-Methylamino-1-phenylpentan-1-one
Work with Pentedrone
Similar compounds
2-Bromo-1-phenyl-pentan-1-one49851-31-258 % similar
(+)-Methcathinone160977-88-854 % similar
2-Bromo-1-phenylhexan-1-one59774-06-051 % similar
Benzoylcyclopropane3481-02-549 % similar
Cyclobutyl phenyl ketone5407-98-746 % similar
Cyclopentyl phenyl ketone5422-88-846 % similar
1,2-Diphenylbutan-1-one16282-16-945 % similar
2,2-Diethoxyacetophenone6175-45-745 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds