tert-Butyl 2-(4-(2-aminoethyl)phenyl)acetate

HCID 14775459
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Basic information

CAS
124499-20-3
Standard SMILES
CC(C)(C)OC(=O)Cc1ccc(CCN)cc1
InChIKey
CMJIKWRJLCDJQU-UHFFFAOYSA-N
Molecular formula
C14H21NO2
Average molar mass
235.32 g/mol
Monoisotopic mass
235.15722891

Names & identifiers

Preferred name
tert-Butyl 2-(4-(2-aminoethyl)phenyl)acetate
IUPAC
tert-butyl 2-[4-(2-aminoethyl)phenyl]acetate
English name
tert-Butyl [4-(2-amino-ethyl)-phenyl]-acetate
Molecular formula
C14H21NO2
Molecular weight
235.32

Names & synonyms

124499-20-3tert-Butyl 2-(4-(2-aminoethyl)phenyl)acetateTERT-BUTYL [4-(2-AMINO-ETHYL)-PHENYL]-ACETATEtert-butyl 2-[4-(2-aminoethyl)phenyl]acetateMFCD04114528tert-Butyl [4-(2-amino-ethyl)phenyl]acetatetert-Butyl [4-(2-aminoethyl)phenyl]acetateSCHEMBL1732992DTXSID80563906CMJIKWRJLCDJQU-UHFFFAOYSA-NAKOS015999781AB18516
Show more names
t-Butyl 4-(2-aMinoethyl)phenylacetate2-[4-(2-aminoethyl)phenyl]acetic acid tert-butyl ester
CCG-358840CS-0272771G85006EN300-1265140[4-(2-amino-ethyl) phenyl]-acetic acid t-butyl ester[4-(2-amino-ethyl)phenyl]-acetic acid t-butyl esterF2147-2852Benzeneacetic acid, 4-(2-aminoethyl)-, 1,1-dimethylethyl ester

Database identifiers

CAS
124499-20-3
PubChem CID
14775459
DTXSID
DTXSID80563906

Properties

Computed structural properties

XLogP
2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
17

Physicochemical properties

Boiling point
332.3 · 332.3±22.0 °C(Predicted)
Density
1.03 · 1.030±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.88 · 9.88±0.10(Predicted)

Chemistry & industry

Suppliers10 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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