tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate

C₉H₂₀N₂O₃CAS 127828-22-2204.27 g/mol

Open in Covalent MOL file

Carbamate Ether Primary amine

Properties

Molecular formula: C₉H₂₀N₂O₃
Molar mass: 204.27 g/mol
Exact mass: 204.1474 Da
logP: 0.49Crippen estimate
Polar surface area: 73.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

127828-22-2

SMILES

CC(C)(C)OC(=O)NCCOCCN

InChIKey

VULKFBHOEKTQSF-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12)

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

Names and synonyms

1 names

Carbamic acid, [2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ester (9ci)

Work with tert-Butyl [2-(2-aminoethoxy)ethyl]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

Boc-1-amino-3,6-dioxa-8-octanediamine153086-78-397 % similar Boc-NH-PEG4-amine811442-84-997 % similar 2-(2-Boc-aminoethoxy)ethanol139115-91-668 % similar tert-Butyl N-(4-aminobutyl)carbamate68076-36-867 % similar N-Boc-ethylenediamine hydrochloride79513-35-267 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-266 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-666 % similar N-Boc-peg6-alcohol331242-61-666 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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