Ethyl 4-(pyrrolidin-1-yl)benzoate

HCID 773371
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Basic information

CAS
101038-63-5
Standard SMILES
CCOC(=O)c1ccc(N2CCCC2)cc1
InChIKey
RKJDCQVVECOVJR-UHFFFAOYSA-N
Molecular formula
C13H17NO2
Average molar mass
219.28 g/mol
Monoisotopic mass
219.12592878

Names & identifiers

Preferred name
Ethyl 4-(pyrrolidin-1-yl)benzoate
IUPAC
ethyl 4-pyrrolidin-1-ylbenzoate
English name
4-PYRROLIDIN-1-YL-BENZOIC ACID ETHYL ESTER
Molecular formula
C13H17NO2
Molecular weight
219.28

Names & synonyms

ethyl 4-(pyrrolidin-1-yl)benzoate101038-63-5DTXSID70354426RefChem:343799DTXCID00305486ethyl 4-pyrrolidin-1-ylbenzoate4-Pyrrolidin-1-yl-benzoic acid ethyl esterMFCD01552913BAS 01217122ethyl 4-pyrrolidinobenzoateTimTec1_008389Oprea1_629201
Show more names
RARECHEM AL BI 1489Ethyl 4-(1-Pyrrolidinyl)BenzoateBenzoic acid, 4-(1-pyrrolidinyl)-, ethyl ester
Oprea1_723946SCHEMBL3898465RKJDCQVVECOVJR-UHFFFAOYSA-NHMS1557N07ethyl 4-(pyrrolidine-1-yl)benzoateSTK722055AKOS000509972DB-058553

Database identifiers

CAS
101038-63-5
PubChem CID
773371
DTXSID
DTXSID70354426
Nikkaji
J2.279.147H

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Physicochemical properties

Melting point
114 · 114-116 °C(Solv: ethanol (64-17-5))
Boiling point
352.5 · 352.5±25.0 °C(Predicted)
Density
1.105 · 1.105±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.12 · 3.12±0.40(Predicted)

Chemistry & industry

Suppliers7 total

平顶山隆维生物科技有限公司15343756688 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
南京天海医药科技有限公司025-58351158 13851454004 · [email protected]
邢台卓旺生物科技有限公司15227351060; 15227351060 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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