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1-(1,1-Dimethylethyl) 4-(3-carboxy-4-nitrophenyl)-1-piperazinecarboxylate

1-(1,1-Dimethylethyl) 4-(3-carboxy-4-nitrophenyl)-1-piperazinecarboxylate structure

CAS No:
183622-36-8
Formula:
C16H21N3O6
Chemical Name:
1-(1,1-Dimethylethyl) 4-(3-carboxy-4-nitrophenyl)-1-piperazinecarboxylate
Synonyms:
1-Piperazinecarboxylic acid,4-(3-carboxy-4-nitrophenyl)-,1-(1,1-dimethylethyl) ester;1-(1,1-Dimethylethyl) 4-(3-carboxy-4-nitrophenyl)-1-piperazinecarboxylate;1-N-Boc-4-(3-Carboxy-4-nitrophenyl)piperazine

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1-(1,1-Dimethylethyl) 4-(3-carboxy-4-nitrophenyl)-1-piperazinecarboxylate Basic Attributes

Molecular Weight：

351.35400

Exact Mass：

351.35

DSSTox ID：

DTXSID90472939

HScode：

2933599090

Characteristics

PSA：

115.90000

XLogP3：

2.87620

Density：

1.329g/cm3

Boiling Point：

555.6ºC

Flash Point：

289.8ºC

Refractive Index：

1.583

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:351.35
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:351.14303540
Monoisotopic Mass:351.14303540
Topological Polar Surface Area:116
Heavy Atom Count:25
Complexity:519
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,1-Dimethylethyl) 4-(3-carboxy-4-nitrophenyl)-1-piperazinecarboxylate

Basic Attributes
Characteristics
Computed Properties
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