1-Methyl-4-(4-nitrobenzyl)piperazine

HCID 677795
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Basic information

CAS
70261-81-3
Standard SMILES
CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIKey
TZZWNVPIAQKNTG-UHFFFAOYSA-N
Molecular formula
C12H17N3O2
Average molar mass
235.28 g/mol
Monoisotopic mass
235.13207679

Names & identifiers

Preferred name
1-Methyl-4-(4-nitrobenzyl)piperazine
IUPAC
1-methyl-4-[(4-nitrophenyl)methyl]piperazine
English name
1-Methyl-4-(4-nitrobenzyl)piperazine
Molecular formula
C12H17N3O2
Molecular weight
235.28

Names & synonyms

1-METHYL-4-(4-NITROBENZYL)PIPERAZINE70261-81-3DTXSID10350386RefChem:231840DTXCID703014551-methyl-4-[(4-nitrophenyl)methyl]piperazineMFCD009768661-(4-nitrobenzyl)-4-methylpiperazine1-methyl-4-(4-nitro-benzyl)-piperazineCambridge id 5267925Oprea1_067198Piperazine,1-methyl-4-[(4-nitrophenyl)methyl]-
Show more names
SKL6011-Methyl-4-(4-nitrobenzyl)piperazine95%1-(4-Methyl-3-nitrobenzyl)-4-MethylpiperazinePiperazine, 1-methyl-4-[(4-nitrophenyl)methyl]-1-methyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium1-METHYL-4-[(4-NITROPHENYL)METHYL]-PIPERAZINE DIHYDROCHLORIDE
SCHEMBL519334SCHEMBL13981952TZZWNVPIAQKNTG-UHFFFAOYSA-NSBB0984464-methyl-1-(4-nitrobenzyl)piperazineAKOS015850939CS-W002721BP-20169

Database identifiers

CAS
70261-81-3
PubChem CID
677795
DTXSID
DTXSID10350386

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Boiling point
358.2 · 358.2±27.0 °C(Predicted)
Density
1.184 · 1.184±0.06 g/cm3(Predicted)
pka
7.51 · 7.51±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H332-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers37 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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