1-Boc-4-(4-Nitrophenyl)piperazine

HCID 3380696
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Basic information

CAS
182618-86-6
Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIKey
MGYCIJUTYLUYJM-UHFFFAOYSA-N
Molecular formula
C15H21N3O4
Average molar mass
307.34 g/mol
Monoisotopic mass
307.15320615

Names & identifiers

Preferred name
1-Boc-4-(4-Nitrophenyl)piperazine
IUPAC
tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate
English name
4-(4-Nitrophenyl)piperazine-1-carboxylic acid tert-butyl ester
Molecular formula
C15H21N3O4
Molecular weight
307.34

Names & synonyms

1-Boc-4-(4-Nitrophenyl)piperazine182618-86-6DTXSID70391957RefChem:228202DTXCID20342818tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylateMFCD021873261-Piperazinecarboxylic acid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester4-(4-Nitrophenyl)piperazine-1-carboxylic acid tert-butyl estertert-butyl 4-(4-nitrophenyl)piperazinecarboxylateOprea1_054508MLS000706997
Show more names
1-Boc-4-(4-Nitrophenyl)1-BOC-4-(4-NITROPHENYL)-PIPERAZINEt-Butyl 4-(4-nitrophenyl)piperazine-1-carboxylateert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate4-(4-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester4-(4-Nitrophenyl)piperazine-1-carboxylicacidtert-butylester95%TERT-BUTYL 4-(4-NITROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE4-(4-NITROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 95%
SCHEMBL594206CHEMBL1570594MGYCIJUTYLUYJM-UHFFFAOYSA-NHMS2695I20AB3493SBB066888AKOS002254586DS-0174

Database identifiers

CAS
182618-86-6
PubChem CID
3380696
DTXSID
DTXSID70391957
ChEMBL
CHEMBL1570594

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
78.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

Experimental & physicochemical properties

Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Boiling point
456.6 · 456.6±40.0 °C(Predicted)
Density
1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
1.73 · 1.73±0.10(Predicted)
form
Solid
Appearance
Light yellow to yellow Solid

Safety & regulation

Safety data

hs_code
2933599590
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers88 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

42 records
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Compound notes

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