4-Acetylamino-3-amino-ethylbenzoate

HCID 18681007
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Basic information

Standard SMILES
CCc1c(C(=O)[O-])ccc(NC(C)=O)c1N
InChIKey
CEIRIHYKWVUAFT-UHFFFAOYSA-M
Molecular formula
C11H13N2O3-
Average molar mass
221.23 g/mol

Names & identifiers

Preferred name
4-Acetylamino-3-amino-ethylbenzoate
IUPAC
4-acetamido-3-amino-2-ethylbenzoate

Names & synonyms

CEIRIHYKWVUAFT-UHFFFAOYSA-M4-acetylamino-3-amino-ethylbenzoate

Database identifiers

PubChem CID
18681007

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
95.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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