tert-Butyl N-(prop-2-yn-1-yl)carbamate

C₈H₁₃NO₂CAS 92136-39-5155.20 g/mol

Open in Covalent MOL file

Alkyne Carbamate

Properties

Molecular formula: C₈H₁₃NO₂
Molar mass: 155.20 g/mol
Exact mass: 155.0946 Da
logP: 1.14Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.8% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.8% of notifiers
H412 Harmful to aquatic life with long lasting effects12.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

92136-39-5

SMILES

CC(C)(C)OC(=O)NCC#C

InChIKey

DSPYCWLYGXGJNJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NO2/c1-5-6-9-7(10)11-8(2,3)4/h1H,6H2,2-4H3,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

N-Boc-propargylamine

Work with tert-Butyl N-(prop-2-yn-1-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

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile85363-04-864 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-855 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-151 % similar tert-Butyl N-(2-oxopropyl)carbamate170384-29-951 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-251 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-551 % similar N-(tert-Butoxycarbonyl)-2-aminoethanethiol67385-09-551 % similar tert-Butyl N-(2-oxoethyl)carbamate89711-08-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetylcaprolactam1888-91-1 2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid20448-79-7 4-Acetamidocyclohexanone27514-08-5 Scopine498-45-3 (±)-6β-Hydroxytropinone5932-53-6 Arecoline63-75-2 Bemegride64-65-3 2-Amino-cyclopent-1-enecarboxylic acid ethyl ester7149-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook