tert-Butyl N-(azetidin-3-ylmethyl)carbamate

C₉H₁₈N₂O₂CAS 91188-15-7186.25 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₉H₁₈N₂O₂
Molar mass: 186.25 g/mol
Exact mass: 186.1368 Da
logP: 0.73Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

91188-15-7

SMILES

CC(C)(C)OC(=O)NCC1CNC1

InChIKey

MOLUHRBHXXGWDP-UHFFFAOYSA-N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)

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

Names and synonyms

1 names

3-(N-Boc-aminomethyl)azetidine

Work with tert-Butyl N-(azetidin-3-ylmethyl)carbamate

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

3-Boc-aminomethylpyrrolidine149366-79-078 % similar (S)-3-N-Boc-aminomethyl pyrrolidine173340-26-678 % similar 4-(Boc-aminomethyl)piperidine135632-53-075 % similar 3-N-Boc-aminomethylpiperidine142643-29-671 % similar tert-Butyl (4-oxocyclohexyl) methylcarbamate809273-70-966 % similar trans-4-(Boc-aminomethyl)-cyclohexanemethanamine166168-16-764 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-462 % similar 3-N-Boc-amino-azetidine91188-13-561 % 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-(aminomethyl)azetidine325775-44-8 1-Boc-3-methylaminoazetidine454703-20-9 Dimorpholinomethane5625-90-1

Elsewhere

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