(2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester

C₈H₁₇NO₃CAS 57561-39-4175.23 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₈H₁₇NO₃
Molar mass: 175.23 g/mol
Exact mass: 175.1208 Da
logP: 0.85Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed92.7% of notifiers

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

57561-39-4

SMILES

CC(C)(C)OC(=O)N(C)CCO

InChIKey

RFDSJHHLGFFVHD-UHFFFAOYSA-N

InChI

InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3

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Names and synonyms

1 names

N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanol

Work with (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl 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

N-Boc-diethanolamine103898-11-969 % similar tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-467 % similar N-Boc-N-methylethylenediamine121492-06-665 % similar tert-Butyl N-(3-aminopropyl)-N-methylcarbamate150349-36-361 % similar tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate77279-24-461 % similar 1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate144222-23-159 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-658 % similar N-Boc-(methylamino)acetaldehyde123387-72-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-((2R)-1-hydroxypropan-2-yl)carbamate106391-86-0 N-Boc-(R)-1-amino-2-propanol119768-44-4 2-Ethylhexyl nitrate27247-96-7 (2S,3R)-2-Amino-3-(tert-butoxy)butanoic acid4378-13-6 3-(Boc-amino)-1-propanol58885-58-8 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-9

Elsewhere

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