Basic information
- CAS
71254-74-5- Standard SMILES
CCOC(=O)c1ccc(N2CCCCC2)c(N)c1- InChIKey
NZNCMBCPAWKKSB-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- Ethyl 3-amino-4-(1-piperidinyl)benzoate
- IUPAC
- ethyl 3-amino-4-piperidin-1-ylbenzoate
- English name
- Ethyl 3-aMino-4-(piperidin-1-yl)benzoate
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
71254-74-5Ethyl 3-amino-4-(1-piperidinyl)benzoateethyl 3-amino-4-(piperidin-1-yl)benzoateethyl 3-amino-4-piperidin-1-ylbenzoate3-Amino-4-piperidin-1-yl-benzoic acid ethyl esterMFCD00238972Maybridge3_003360Oprea1_052674SCHEMBL10049116DTXSID90384780NZNCMBCPAWKKSB-UHFFFAOYSA-NHMS1440I16
Show more names
Benzoic acid, 3-amino-4-(1-piperidinyl)-, ethyl ester
CCG-41949AKOS010560148SB38416ethyl 3-amino-4-(1-piperidyl)benzoateIDI1_014747ethyl3-amino-4-(piperidin-1-yl)benzoateH42789EN300-14584141
Database identifiers
- CAS
71254-74-5- PubChem CID
- 2818633
- DTXSID
DTXSID90384780
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 84 °C · 84 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 425.2 · 425.2±35.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 6.31 · 6.31±0.11(Predicted)
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海百韧生物科技有限公司13564638271 · [email protected]
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
2 records
Compound notes
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