tert-Butyl 3-aminobenzylcarbamate

C₁₂H₁₈N₂O₂CAS 147291-66-5222.29 g/mol

Open in Covalent MOL file

Carbamate Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

147291-66-5

SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N

InChIKey

LSOZALWRNWQPLK-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3,(H,14,15)

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Names and synonyms

1 names

tert-Butyl N-((3-aminophenyl)methyl)carbamate

Work with tert-Butyl 3-aminobenzylcarbamate

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-((3-(aminomethyl)phenyl)methyl)carbamate108467-99-872 % similar Boc-3-aminomethylbenzoic acid117445-22-464 % similar 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-459 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-949 % similar 3-Amino-N-methylbenzenemethanamine18759-96-148 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-742 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-842 % similar Boc-3-methyl-L-phenylalanine114873-06-241 % similar

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

Same formula

Isophorone diisocyanate4098-71-9

Elsewhere

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