4-(4-Bromophenyl)-1-methylpiperidine

HCID 21363877
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Basic information

CAS
1187928-85-3
Standard SMILES
CN1CCC(c2ccc(Br)cc2)CC1
InChIKey
XVFDTMOEUDZZFE-UHFFFAOYSA-N
Molecular formula
C12H16BrN
Average molar mass
254.17 g/mol
Monoisotopic mass
253.04661161

Names & identifiers

Preferred name
4-(4-Bromophenyl)-1-methylpiperidine
IUPAC
4-(4-bromophenyl)-1-methylpiperidine
English name
4-(4-Bromo-phenyl)-1-methyl-piperidine
Molecular formula
C12H16BrN
Molecular weight
254.17

Names & synonyms

4-(4-bromophenyl)-1-methylpiperidine1187928-85-34-(4-BROMO-PHENYL)-1-METHYL-PIPERIDINEMFCD129137764-(4-bromophenyl)-1-methyl-piperidineSCHEMBL578267XVFDTMOEUDZZFE-UHFFFAOYSA-NDTXSID401290868SB31239DA-22587CS-0341057F94116
Show more names
Piperidine, 4-(4-bromophenyl)-1-methyl-4-(4-bromophenyl)-1-methylhexahydropyridine

Database identifiers

CAS
1187928-85-3
PubChem CID
21363877
DTXSID
DTXSID401290868

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
300.1 · 300.1±42.0 °C(Predicted)
Density
1.284 · 1.284±0.06 g/cm3(Predicted)
pka
8.79 · 8.79±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers15 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海美洛英特化学有限公司15821661757 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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