1-Boc-3-(amino)azetidine

C₈H₁₆N₂O₂CAS 193269-78-2172.23 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₈H₁₆N₂O₂
Molar mass: 172.23 g/mol
Exact mass: 172.1212 Da
logP: 0.56Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage16% of notifiers
H315 Causes skin irritation84% of notifiers
H319 Causes serious eye irritation82% of notifiers
H335 May cause respiratory irritation84% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

193269-78-2

SMILES

CC(C)(C)OC(=O)N1CC(C1)N

InChIKey

WPGLRFGDZJSQGI-UHFFFAOYSA-N

InChI

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5,9H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 3-aminoazetidine-1-carboxylate

Work with 1-Boc-3-(amino)azetidine

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

(S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-576 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-076 % similar tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-076 % similar 1-Boc-3-aminopiperidine144243-24-371 % similar N-Boc-3-aminopiperidine184637-48-771 % similar (R)-1-Boc-3-aminopiperidine188111-79-771 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-371 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-770 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl piperazine-1-acetate40004-08-8 Ethyl 4-amino-1-piperidinecarboxylate58859-46-4 3-N-Boc-amino-azetidine91188-13-5

Elsewhere

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