1-(4-Chloro-o-tolyl)piperazine

HCID 100852
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Basic information

CAS
58820-36-3
Standard SMILES
Cc1cc(Cl)ccc1N1CCNCC1
InChIKey
MXEFOSLEAQWWDM-UHFFFAOYSA-N
Molecular formula
C11H15ClN2
Average molar mass
210.7 g/mol
Monoisotopic mass
210.0923762

Names & identifiers

Preferred name
1-(4-Chloro-o-tolyl)piperazine
IUPAC
1-(4-chloro-2-methylphenyl)piperazine
English name
1-(4-chloro-o-tolyl)piperazine
Molecular formula
C11H15ClN2
Molecular weight
210.7

Names & synonyms

1-(4-chloro-2-methylphenyl)piperazine58820-36-31-(4-Chloro-o-tolyl)piperazineEINECS 261-456-6SCHEMBL651717DTXSID60207553GS1401MFCD00044555AKOS0229902311-(4-chloro-2-methyl-phenyl)piperazine1-(4-choro-2-methyl-phenyl)-piperazine1-(4-chloro-2-methyl-phenyl)-piperazine
Show more names
1-(4-Chloro-methylphenyl)piperazineN-(4-Chloro-2-methylphenyl)piperazinePiperazine, 1-(4-chloro-2-methylphenyl)-
NS00034021EN300-1983923

Database identifiers

CAS
58820-36-3
PubChem CID
100852
DTXSID
DTXSID60207553
EC Number
261-456-6
Nikkaji
J297.034A

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
350.4 · 350.4±42.0 °C(Predicted)
Density
1.133 · 1.133±0.06 g/cm3(Predicted)
pka
8.88 · 8.88±0.10(Predicted)

Chemistry & industry

Suppliers9 total

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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