1-(3-Nitrophenyl)pyrrolidine

HCID 698267
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Basic information

CAS
132993-20-5
Standard SMILES
O=[N+]([O-])c1cccc(N2CCCC2)c1
InChIKey
GRNJGZQBTNJPIL-UHFFFAOYSA-N
Molecular formula
C10H12N2O2
Average molar mass
192.21 g/mol
Monoisotopic mass
192.08987763

Names & identifiers

Preferred name
1-(3-Nitrophenyl)pyrrolidine
IUPAC
1-(3-nitrophenyl)pyrrolidine
English name
1-(3-NITRO-PHENYL)-PYRROLIDINE
Molecular formula
C10H12N2O2
Molecular weight
192.21

Names & synonyms

1-(3-nitrophenyl)pyrrolidine132993-20-51-(3-Nitro-phenyl)-pyrrolidinePyrrolidine, 1-(3-nitrophenyl)-MFCD02940746(3-nitrophenyl)pyrrolidine1-{3-nitrophenyl}pyrrolidineOprea1_843656SCHEMBL533010SCHEMBL5182590SCHEMBL28989354GRNJGZQBTNJPIL-UHFFFAOYSA-
Show more names
TIMTEC-BB SBB0063191-(Pyrrolidin-1-yl)-3-nitrobenzene
DTXSID80351345ALBB-023142SBB006319STK733917AKOS001734091AS-84989ST024134CS-0314275

Database identifiers

CAS
132993-20-5
PubChem CID
698267
DTXSID
DTXSID80351345
Nikkaji
J356.292A

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
33 · 33-34 °C
Boiling point
329.7 · 329.7±25.0 °C(Predicted)
Density
1.233 · 1.233±0.06 g/cm3(Predicted)
pka
3.21 · 3.21±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers13 total

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安徽合诺生物科技有限公司0555-2761852
平顶山隆维生物科技有限公司15343756688 · [email protected]
安徽合诺生物科技有限公司18455579438
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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