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7148-07-4 molecular structure
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1-(cyclopent-1-en-1-yl)pyrrolidine

ChemBase ID: 65922
Molecular Formular: C9H15N
Molecular Mass: 137.2221
Monoisotopic Mass: 137.12044949
SMILES and InChIs

SMILES:
C1CC=C(C1)N1CCCC1
Canonical SMILES:
C1CC=C(C1)N1CCCC1
InChI:
InChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2
InChIKey:
KOFSFYBXUYHNJL-UHFFFAOYSA-N

Cite this record

CBID:65922 http://www.chembase.cn/molecule-65922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclopent-1-en-1-yl)pyrrolidine
IUPAC Traditional name
1-(cyclopent-1-en-1-yl)pyrrolidine
Synonyms
1-Cyclopentenylpyrrolidine
1-(1-Cyclopenten-1-yl)pyrrolidine
1-Pyrrolidino-1-cyclopentene
1-(Cyclopent-1-en-1-yl)pyrrolidine
1-(1-Pyrrolidino)cyclopentene
1-(1-Pyrrolidinyl)cyclopentene
1-(1-Cyclopenten-1-yl)pyrrolidine
1-环戊烯基吡烙烷
1-(1-吡咯烷)环戊烯
CAS Number
7148-07-4
EC Number
230-463-6
MDL Number
MFCD00003162
Beilstein Number
109824
PubChem SID
162031661
24848953
PubChem CID
81570

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8589487  LogD (pH = 7.4) -1.1415843 
Log P 1.6184121  Molar Refractivity 45.4357 cm3
Polarizability 16.758333 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
100-110 °C/15 mmHg(lit.) expand Show data source
103-107°C/15mm expand Show data source
103-107°C/15mm expand Show data source
Flash Point
116.6 °F expand Show data source
47 °C expand Show data source
83°C(114°F) expand Show data source
Density
0.941 expand Show data source
0.941 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5155 expand Show data source
n20/D 1.5155(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-36/37/38 expand Show data source
36/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
23-26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
H315-H319-H227 expand Show data source
GHS Precautionary statements
P260-P280G-P305+P351+P338 expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C9H15N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 149446 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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