Amino-peg1-T-butyl ester

C₉H₁₉NO₃CAS 1260092-46-3189.25 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₉H₁₉NO₃
Molar mass: 189.25 g/mol
Exact mass: 189.1365 Da
logP: 0.69Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% 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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1260092-46-3

SMILES

CC(C)(C)OC(=O)CCOCCN

InChIKey

NSCCYXHEZRMPPH-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO3/c1-9(2,3)13-8(11)4-6-12-7-5-10/h4-7,10H2,1-3H3

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Names and synonyms

1 names

tert-Butyl 3-(2-Aminoethoxy)propanoate

Work with Amino-peg1-T-butyl ester

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

tert-Butyl 12-amino-4 7 10-trioxa-dodeca252881-74-697 % similar tert-Butyl 1-Amino-3,6,9,12-tetraoxapentadecan-15-oate581065-95-497 % similar 1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate756525-95-897 % similar H2N-Peg8-tbu756526-06-497 % similar tert-Butyl 3-(2-hydroxyethoxy)propanoate671802-00-965 % similar H-Beta-ala-otbu hcl58620-93-264 % similar tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate133803-81-363 % similar Tris[[2-(tert-butoxycarbonyl)ethoxy]methyl]methylamine175724-30-863 % similar

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

Same formula

tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-9

Elsewhere

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