chempirical

tert-Butyl N-[(4-aminophenyl)methyl]carbamate

C12H18N2O2CAS 94838-55-8222.29 g/mol

Open in Covalent MOL file
OONHNH2
CarbamatePrimary amine

Properties

Molecular formula
C12H18N2O2
Molar mass
222.29 g/mol
Exact mass
222.1368 Da
logP
2.29Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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
94838-55-8
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)N
InChIKey
UXWQXBSQQHAGMG-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3,(H,14,15)

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Names and synonyms

1 names
  • 4-(Boc-aminomethyl)aniline

Work with tert-Butyl N-[(4-aminophenyl)methyl]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

tert-Butyl 4-aminophenethylcarbamate94838-59-276 % similar 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-474 % similar 4-[(tert-Butoxycarbonylamino)methyl]benzoic acid33233-67-964 % similar 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid489446-42-664 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-962 % similar tert-Butyl N-((3-(aminomethyl)phenyl)methyl)carbamate108467-99-859 % similar Boc-4-amino-L-phenylalanine55533-24-956 % similar N-Boc-tyramine64318-28-152 % similar

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

Same formula

tert-Butyl 3-aminobenzylcarbamate147291-66-5 1-(2,4-Dimethoxyphenyl)piperazine16015-75-1 3-(Aminomethyl)-1-N-boc-aniline205318-52-1 tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-4 Isophorone diisocyanate4098-71-9 4-(2-Morpholin-4-ylethoxy)aniline52481-41-1 1-(3,5-Dimethoxyphenyl)piperazine53557-93-0

Elsewhere

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