1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate

C₁₀H₂₀N₂O₂CAS 898271-20-0200.28 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₂
Molar mass: 200.28 g/mol
Exact mass: 200.1525 Da
logP: 1.20Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% 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

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

Identifiers

CAS number

898271-20-0

SMILES

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

InChIKey

XQNQFOKZUQWWDO-UHFFFAOYSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4-7,11H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

1-Azetidinecarboxylic acid, 3-(2-aminoethyl)-, 1,1-dimethylethyl ester
tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate

Work with 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate

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

4-(2-Aminoethyl)-1-boc-piperidine146093-46-175 % similar 1-Boc-3-(aminomethyl)azetidine325775-44-871 % similar (R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-364 % similar (S)-1-Boc-3-(aminomethyl)pyrrolidine199175-10-564 % similar 1-Boc-azetidine-3-ylmethanol142253-56-362 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-662 % similar 1-Boc-3-(amino)azetidine193269-78-261 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-461 % similar

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

Same formula

tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1-Boc-3-aminopiperidine144243-24-3

Elsewhere

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