Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate
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Basic information
- CAS
850375-09-6- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2cccc(I)c2)CC1- InChIKey
JLVMTCLEBCUNPU-UHFFFAOYSA-N- Molecular formula
- C16H23IN2O2
- Average molar mass
- 402.27 g/mol
- Monoisotopic mass
- 402.08043
Names & identifiers
- Preferred name
- Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylate
- English name
- TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
- Molecular formula
- C16H23IN2O2
- Molecular weight
- 402.27
Names & synonyms
850375-09-6Tert-butyl 4-[(3-iodophenyl)methyl]piperazine-1-carboxylateTERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATEMFCD06658978tert-Butyl 4-(3-iodobenzyl)piperazine-1-carboxylate4-(3-Iodobenzyl)piperazine, N1-BOC protectedSCHEMBL1433538DTXSID70427801AKOS027327235DB-010746CS-04589654-(3-Iodobenzyl)piperazine,N1-BOCprotected97%
Show more names
TERT-BUTYL 4-(3-IODOBENZYL)PIPERAZIN-1-CARBOXYLATE1-Piperazinecarboxylic acid, 4-[(3-iodophenyl)methyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
850375-09-6- PubChem CID
- 7127797
- DTXSID
DTXSID70427801
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- CAS DataBase Reference
- 850375 · 850375-09-6
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P280-P308+P313
- Hazard Codes
- C
- Hazard Note
- Corrosive
- HS Code
- 2933599590 · 2933599590
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
- 2933599590
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P280-P308+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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