tert-Butyl N-(benzyloxy)carbamate

C₁₂H₁₇NO₃CAS 79722-21-7223.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇NO₃
Molar mass: 223.27 g/mol
Exact mass: 223.1208 Da
logP: 2.64Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

79722-21-7

SMILES

CC(C)(C)OC(=O)NOCC1=CC=CC=C1

InChIKey

MZNBNPWFHGWAGH-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)

Weigh it out

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

Work with tert-Butyl N-(benzyloxy)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-ala-obzl51814-54-157 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-157 % similar t-Butyl carbanilate3422-01-355 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-854 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-753 % similar N-Boc-DL-phenylalaninol145149-48-053 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-053 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cerulenin17397-89-6 Bufexamac2438-72-4

Elsewhere

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