exo-3-Boc-aminotropane

C₁₂H₂₂N₂O₂CAS 132234-68-5226.32 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₂H₂₂N₂O₂
Molar mass: 226.32 g/mol
Exact mass: 226.1681 Da
logP: 1.79Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

132234-68-5

SMILES

CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2

InChIKey

UUHPKKKRSZBQIG-ULKQDVFKSA-N

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10?

Weigh it out

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

Names and synonyms

1 names

exo-3-(Boc-amino)-8-azabicyclo[3.2.1]octane

Work with exo-3-Boc-aminotropane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-6Stereoisomer

Similar compounds

tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-166 % similar tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-865 % similar rac-tert-Butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate207729-04-265 % similar Boc-trans-4-aminocyclohexanol111300-06-264 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-664 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-864 % similar 4-N-Boc-amino-cyclohexanol224309-64-264 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate247570-24-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-3 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-8 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-6 N-Boc-exo-3-aminotropane744183-20-8 tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook