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59335-84-1 molecular structure
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(2S)-2-methylpyrrolidine

ChemBase ID: 70254
Molecular Formular: C5H11N
Molecular Mass: 85.14754
Monoisotopic Mass: 85.08914936
SMILES and InChIs

SMILES:
N1[C@H](CCC1)C
Canonical SMILES:
C[C@H]1CCCN1
InChI:
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey:
RGHPCLZJAFCTIK-YFKPBYRVSA-N

Cite this record

CBID:70254 http://www.chembase.cn/molecule-70254.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-methylpyrrolidine
IUPAC Traditional name
(2S)-2-methylpyrrolidine
Synonyms
(2S)-2-Methylpyrrolidine
(S)-2-Methylpyrrolidine
(S)-(+)-2-Methylpyrrolidine
(S)-(+)-2-甲基吡咯烷
CAS Number
59335-84-1
MDL Number
MFCD07779425
PubChem SID
162035977
PubChem CID
6999702

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.611706  LogD (pH = 7.4) -2.5516837 
Log P 0.629494  Molar Refractivity 26.6532 cm3
Polarizability 10.75224 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
97-99 °C(lit.) expand Show data source
97-99°C expand Show data source
Flash Point
44.6 °F expand Show data source
7 °C expand Show data source
7°C expand Show data source
Density
0.834 g/mL at 25 °C(lit.) expand Show data source
0.842 expand Show data source
Refractive Index
1.4354 expand Show data source
n20/D 1.4354 expand Show data source
Optical Rotation
[α]20/D +19°, c = 5 in methanol expand Show data source
Storage Warning
Corrosive/Highly Flammable expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H314 expand Show data source
GHS Precautionary statements
P210-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C5H11N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 649147 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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