tert-Butyl 2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate

C17H21N3O2CAS 198904-85-7299.37 g/mol

Open in Covalent MOL file
OOHNNHN
CarbamateSecondary amine

Properties

Molecular formula
C17H21N3O2
Molar mass
299.37 g/mol
Exact mass
299.1634 Da
logP
3.28Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
198904-85-7
SMILES
CC(C)(C)OC(=O)NNCC1=CC=C(C=C1)C2=CC=CC=N2
InChIKey
GIMJTKJSKPENNG-UHFFFAOYSA-N
InChI
InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-11,19H,12H2,1-3H3,(H,20,21)

Weigh it out

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

Work with tert-Butyl 2-(4-(pyridin-2-yl)benzyl)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

2-(Boc-amino)pyridine38427-94-050 % similar 1,1-Dimethylethyl 2-[[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate198904-84-646 % similar tert-Butyl N-(benzyloxy)carbamate79722-21-744 % similar 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-443 % similar tert-Butyl N-[(4-aminophenyl)methyl]carbamate94838-55-843 % similar Boc-3-(2-pyridyl)-Ala-OH71239-85-543 % similar Boc-D-2-pyridylalanine98266-32-143 % similar 2-(N-Boc-Amino)-3-methylpyridine138343-75-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook