1-(4-Nitrobenzyl)pyrrolidine

HCID 783522
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Basic information

CAS
133851-67-9
Standard SMILES
O=[N+]([O-])c1ccc(CN2CCCC2)cc1
InChIKey
YRULNKOFMFLCNV-UHFFFAOYSA-N
Molecular formula
C11H14N2O2
Average molar mass
206.24 g/mol
Monoisotopic mass
206.10552769

Names & identifiers

Preferred name
1-(4-Nitrobenzyl)pyrrolidine
IUPAC
1-[(4-nitrophenyl)methyl]pyrrolidine
English name
1-[(4-Nitrophenyl)Methyl]pyrrolidine
Molecular formula
C11H14N2O2
Molecular weight
206.24

Names & synonyms

1-(4-Nitrobenzyl)pyrrolidine133851-67-9DTXSID00354818RefChem:225523DTXCID303058781-[(4-nitrophenyl)methyl]pyrrolidinepyrrolidine, 1-[(4-nitrophenyl)methyl]-, hydrobromide1-(4-nitrobenzyl)-pyrrolidineSCHEMBL22066281-(4-nitro-benzyl)-pyrrolidineYRULNKOFMFLCNV-UHFFFAOYSA-N[(4-nitrophenyl)methyl]pyrrolidine
Show more names
Pyrrolidine, 1-[(4-nitrophenyl)methyl]-
ALBB-023896MFCD02051488AKOS003663229BS-26730CS-0212899ST45026111SR-01000209148SR-01000209148-1

Database identifiers

CAS
133851-67-9
PubChem CID
783522
DTXSID
DTXSID00354818

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Boiling point
319.7 · 319.7±17.0 °C(Predicted)
Density
1.213 · 1.213±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
8.95 · 8.95±0.20(Predicted)

Chemistry & industry

Suppliers11 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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