2-(2-Boc-aminoethoxy)ethanol

C9H19NO4CAS 139115-91-6205.25 g/mol

Open in Covalent MOL file
OONHOOH
AlcoholCarbamateEther

Properties

Molecular formula
C9H19NO4
Molar mass
205.25 g/mol
Exact mass
205.1314 Da
logP
0.52Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
139115-91-6
SMILES
CC(C)(C)OC(=O)NCCOCCO
InChIKey
KSFVNEXYCULLEJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-4-6-13-7-5-11/h11H,4-7H2,1-3H3,(H,10,12)

Weigh it out

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

Work with 2-(2-Boc-aminoethoxy)ethanol

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 N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-297 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-697 % similar N-Boc-peg6-alcohol331242-61-697 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-273 % similar 3-(Boc-amino)-1-propanol58885-58-869 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-268 % similar T-Boc-N-amido-peg1-acid1260092-44-167 % similar tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-967 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-diethanolamine103898-11-9 (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-1 Panthenol16485-10-2 (R)-(+)-2-(BOC-Amino)-1,4-butanediol397246-14-9 (+)-Panthenol81-13-0

Elsewhere

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