N-(tert-Butoxycarbonyl)-2-aminoacetonitrile

C₇H₁₂N₂O₂CAS 85363-04-8156.18 g/mol

Open in Covalent MOL file

Carbamate Nitrile

Properties

Molecular formula: C₇H₁₂N₂O₂
Molar mass: 156.18 g/mol
Exact mass: 156.0899 Da
logP: 1.03Crippen estimate
Polar surface area: 62.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

85363-04-8

SMILES

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

InChIKey

SMZKPZXYDDZDJG-UHFFFAOYSA-N

InChI

InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)

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Names and synonyms

1 names

tert-Butyl N-(cyanomethyl)carbamate

Work with N-(tert-Butoxycarbonyl)-2-aminoacetonitrile

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-(prop-2-yn-1-yl)carbamate92136-39-564 % similar tert-Butyl cyanoacetate1116-98-955 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-3-Isopropyl-2,5-piperazinedione143673-66-9 N-Acetylprolinamide16395-58-7 (S)-3-Isopropyl-2,5-piperazinedione16944-60-8

Elsewhere

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