8-Benzyl-8-azabicyclo[3.2.1]octan-3-one

C₁₄H₁₇NOCAS 28957-72-4215.30 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₄H₁₇NO
Molar mass: 215.30 g/mol
Exact mass: 215.1310 Da
Melting point: 110–111.5 °C
Boiling point: 161–168 °C (at 0.25 Torr)
logP: 2.38Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

28957-72-4

SMILES

O=C1CC2CCC(C1)N2Cc1ccccc1

InChIKey

RSUHKGOVXMXCND-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

Weigh it out

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

Names and synonyms

12 names

8-Azabicyclo[3.2.1]octan-3-one, 8-(phenylmethyl)-
1αH,5αH-Tropan-3-one, 9-phenyl-
3-Nortropanone, 8-benzyl-
8-(Phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one
8-Benzyl-1αH,5αH-nortropan-3-one
8-Benzyl-3-nortropanone
N-Benzylnortropinone
N-Benzyl-3-tropinone
N-Benzyltropinone
8-Benzyltropinone
8-Benzylbicyclo[3.2.1]octan-3-one
8-Benzyl-8-azabicyclo(3.2.1)octan-3-one

Work with 8-Benzyl-8-azabicyclo[3.2.1]octan-3-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-Cbz-nortropinone130753-13-855 % similar 3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane (3-exo)-76272-36-153 % similar 1-Benzyl-4-piperidone3612-20-247 % similar 3-(Benzyloxy)cyclobutan-1-one30830-27-446 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-646 % similar Dibenzyl ketone102-04-544 % similar 1-Benzyl-3-piperidone40114-49-644 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Benzyl-3-azabicyclo(3.2.1)octan-8-one83507-33-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook