chempirical

1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate

C8H18N2O2CAS 16689-35-3174.24 g/mol

Open in Covalent MOL file
NHNHOO
HydrazoneSecondary amine

Properties

Molecular formula
C8H18N2O2
Molar mass
174.24 g/mol
Exact mass
174.1368 Da
Melting point
47–51 °C
logP
1.63Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
16689-35-3
SMILES
CC(C)NN=C(O)OC(C)(C)C
InChIKey
PUAKAEDMCXRDPR-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O2/c1-6(2)9-10-7(11)12-8(3,4)5/h6,9H,1-5H3,(H,10,11)

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Names and synonyms

5 names
  • Hydrazinecarboxylic acid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester
  • Carbazic acid, 3-isopropyl-, tert-butyl ester
  • tert-Butyl 2-isopropylhydrazinecarboxylate
  • 2-Isopropylhydrazinecarboxylic acid tert-butyl ester
  • 1-Boc-2-isopropylhydrazine

Work with 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate

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

1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-852 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate106391-86-050 % similar 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-950 % similar tert-Butyl N-hydroxycarbamate36016-38-348 % similar tert-Butyl carbazate870-46-247 % similar (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-845 % similar Boc-L-alanine15761-38-345 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-045 % 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 tert-Butyl (3-aminopropyl)carbamate75178-96-0

Elsewhere

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