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tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamate

HCID 390719
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
174497-02-0
Standard SMILES
CC(C)(C)OC(=O)NCCNCCNc1ccccc1
InChIKey
MEMDJFQKOBLTMX-UHFFFAOYSA-N
Molecular formula
C15H25N3O2
Average molar mass
279.38 g/mol
Monoisotopic mass
279.19467705

Names & identifiers

Preferred name
tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamate
IUPAC
tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamate

Names & synonyms

NSC688361tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamateCHEMBL1972013DTXSID801136575NSC-688361174497-02-0NCI60_031918tert-Butyl 2-((2-anilinoethyl)amino)ethylcarbamatetert-Butyl {2-[(2-anilinoethyl)amino]ethyl}carbamateCarbamic acid, [2-[[2-(phenylamino)ethyl]amino]ethyl]-, 1,1-dimethylethyl ester

Database identifiers

CAS
174497-02-0
PubChem CID
390719
DTXSID
DTXSID801136575
ChEMBL
CHEMBL1972013
Nikkaji
J1.668.147D

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
62.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
271

Related reactions

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Compound notes

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