Basic information
- CAS
306934-84-9- Standard SMILES
COc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
ZSUFBKHEFBKBDJ-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.19434269
Names & identifiers
- Preferred name
- tert-butyl 4-(4-methoxyanilino)tetrahydro-1(2H)-pyridinecarboxylate
- IUPAC
- tert-butyl 4-(4-methoxyanilino)piperidine-1-carboxylate
- English name
- TERT-BUTYL 4-(4-METHOXYANILINO)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
- Molecular formula
- C17H26N2O3
- Molecular weight
- 306.4
Names & synonyms
306934-84-9tert-butyl 4-(4-methoxyanilino)tetrahydro-1(2H)-pyridinecarboxylatetert-Butyl 4-((4-methoxyphenyl)amino)piperidine-1-carboxylatetert-butyl 4-(4-methoxyanilino)piperidine-1-carboxylateMFCD021023411-BOC-4-(4-METHOXYPHENYLAMINO) PIPERIDINE4-(4-methoxy-phenylamino)-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[(4-methoxyphenyl)amino]piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-[(4-methoxyphenyl)amino]-, 1,1-dimethylethyl esterOprea1_100046MLS000721224SCHEMBL4109009
Show more names
N-BOC-4-(4-Methoxyanilino)piperidine4-[(4-Methoxyphenyl)amino]piperidine, N1-BOC protectedtert-Butyl 4-(4-methoxyanilino)tetrahydropyridine-1-carboxylate4-(4-methoxyanilino)-2-piperidinecarboxylic acid tert-butyl ester
CHEMBL1510220DTXSID30379817ZSUFBKHEFBKBDJ-UHFFFAOYSA-NHMS2698P04AB1215AKOS005081292SB3649512P-542S
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 435.874 · 435.874±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- form
- Solid
- pka
- 5.844 · 5.844±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海智乾生物科技有限公司[email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
47 records
Compound notes
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