Basic information
- CAS
350684-49-0- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N)cc2)CC1- InChIKey
PCJKGZGOTDJFBX-UHFFFAOYSA-N- Molecular formula
- C16H23N3O3
- Average molar mass
- 305.37 g/mol
- Monoisotopic mass
- 305.1739416
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate
- English name
- tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate
- Molecular formula
- C16H23N3O3
- Molecular weight
- 305.37
Names & synonyms
350684-49-0tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylateDTXSID00376914RefChem:1099546DTXCID60327942tert-butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylateMFCD066595314JML6ADR6KSCHEMBL110336tert-Butyl4-(4-aminobenzoyl)piperazine-1-carboxylatePCJKGZGOTDJFBX-UHFFFAOYSA-NAB3285
Show more names
tert-Butyl 4-(4-aminobenzoyl)4-(4-Aminobenzoyl)-1-Boc-piperazinetert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazine2-[3-Bromo-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetamide2-[3-Chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
1-Piperazinecarboxylic acid, 4-(4-aminobenzoyl)-, 1,1-dimethylethyl esterAKOS002683255SY110011CS-0060941(4-Aminophenyl)(4-Boc-1-piperazinyl)methanoneF21832310Y-0700tert-butyl 4-(4-amino-benzoyl)piperazine-1-carboxylate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 159 · 159-160
- Boiling point
- 488.1 · 488.1±40.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.5 · 3.50±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 228 · H228
- Precautionary statements
- 403 · P403-P501c
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- IRRITANT
- Hazard statements
- H228
- Precautionary statements
- P403-P501c
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers43 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
17 records
Compound notes
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