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55611-39-7 molecular structure
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N-(prop-2-en-1-yl)cyclopentanamine

ChemBase ID: 34822
Molecular Formular: C8H15N
Molecular Mass: 125.2114
Monoisotopic Mass: 125.12044949
SMILES and InChIs

SMILES:
C(=C)CNC1CCCC1
Canonical SMILES:
C=CCNC1CCCC1
InChI:
InChI=1S/C8H15N/c1-2-7-9-8-5-3-4-6-8/h2,8-9H,1,3-7H2
InChIKey:
CTSIKBGUCQWRIM-UHFFFAOYSA-N

Cite this record

CBID:34822 http://www.chembase.cn/molecule-34822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(prop-2-en-1-yl)cyclopentanamine
IUPAC Traditional name
N-(prop-2-en-1-yl)cyclopentanamine
Synonyms
N-Allylcyclopentylamine
N-Allyl-N-cyclopentylamine
N-烯丙基环戊胺
CAS Number
55611-39-7
MDL Number
MFCD00075590
PubChem SID
24863273
160998129
PubChem CID
5062349

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5062349 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3283998  LogD (pH = 7.4) -0.6640752 
Log P 1.8930732  Molar Refractivity 40.2693 cm3
Polarizability 16.06087 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
155-160 °C(lit.) expand Show data source
Flash Point
113 °F expand Show data source
45 °C expand Show data source
Density
0.855 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.46(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
Safety Statements
16-26-36/37/39 expand Show data source
TSCA Listed
false 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
GHS Precautionary statements
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
Purity
97% expand Show data source
Linear Formula
C5H9NHCH2CH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 374016 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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