tert-Butyl N-[(2S)-1-aminopropan-2-yl]carbamate

C₈H₁₈N₂O₂CAS 146552-71-8174.24 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₈H₁₈N₂O₂
Molar mass: 174.24 g/mol
Exact mass: 174.1368 Da
logP: 0.86Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H335 May cause respiratory irritation100% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

146552-71-8

SMILES

C[C@@H](CN)NC(=O)OC(C)(C)C

InChIKey

JQXZBJAAOLPTKP-LURJTMIESA-N

InChI

InChI=1S/C8H18N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1

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

Names and synonyms

1 names

Carbamic acid, [(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester (9ci)

Work with tert-Butyl N-[(2S)-1-aminopropan-2-yl]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

(3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-062 % similar Boc-dap-oh73259-81-161 % similar 3-Amino-N-(tert-butoxycarbonyl)-D-alanine76387-70-761 % similar 3-N-Boc-amino-azetidine91188-13-554 % similar tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-154 % similar Boc-ala-nh285642-13-354 % similar trans-4-(Boc-aminomethyl)-cyclohexanemethanamine166168-16-754 % similar tert-Butyl 3-oxocyclobutylcarbamate154748-49-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-N-methylethylenediamine121492-06-6 N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-1 1,4-Piperazinediethanol122-96-3 1-[2-(2-Hydroxyethoxy)ethyl]piperazine13349-82-1 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate16689-35-3 tert-Butyl (3-aminopropyl)carbamate75178-96-0

Elsewhere

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