rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

C₁₂H₂₂N₂O₂CAS 207405-68-3226.32 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₂H₂₂N₂O₂
Molar mass: 226.32 g/mol
Exact mass: 226.1681 Da
logP: 1.88Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

207405-68-3

SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)N

InChIKey

NZJKEPNCNBWESN-PBINXNQUSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

N-Boc-endo-3-aminotropane

Work with rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

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.

N-Boc-exo-3-aminotropane744183-20-8

Similar compounds

tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-972 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-864 % similar N-Boc-nortropinone185099-67-662 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-659 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-758 % similar 1-Boc-3-(amino)azetidine193269-78-257 % similar (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-555 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

exo-3-Boc-aminotropane132234-68-5 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-6 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 tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-7

Elsewhere

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