1-Boc-3-(aminomethyl)azetidine

C₉H₁₈N₂O₂CAS 325775-44-8186.25 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₉H₁₈N₂O₂
Molar mass: 186.25 g/mol
Exact mass: 186.1368 Da
logP: 0.81Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed81.6% of notifiers
H315 Causes skin irritation18.4% of notifiers
H319 Causes serious eye irritation16.3% of notifiers
H335 May cause respiratory irritation16.3% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

325775-44-8

SMILES

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

InChIKey

XSJPKMUFBHSIRA-UHFFFAOYSA-N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6,10H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate

Work with 1-Boc-3-(aminomethyl)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

(R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-377 % similar (S)-1-Boc-3-(aminomethyl)pyrrolidine199175-10-577 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-473 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-573 % similar 1-Boc-3-(aminomethyl)piperidine162167-97-773 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-071 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-071 % similar 1-Boc-azetidine-3-ylmethanol142253-56-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-3-(Boc-amino)pyrrolidine122536-76-9 (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-0 (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-5 (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0 tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-0 1-Boc-3-methylaminoazetidine454703-20-9 Dimorpholinomethane5625-90-1 tert-Butyl piperazine-1-carboxylate57260-71-6

Elsewhere

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