Home > Compound List > Compound details
765-38-8 molecular structure
click picture or here to close

2-methylpyrrolidine

ChemBase ID: 87222
Molecular Formular: C5H11N
Molecular Mass: 85.14754
Monoisotopic Mass: 85.08914936
SMILES and InChIs

SMILES:
N1C(CCC1)C
Canonical SMILES:
CC1CCCN1
InChI:
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
InChIKey:
RGHPCLZJAFCTIK-UHFFFAOYSA-N

Cite this record

CBID:87222 http://www.chembase.cn/molecule-87222.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylpyrrolidine
IUPAC Traditional name
2-methylpyrrolidine
Synonyms
2-Methylpyrrolidine
2-Methylpyrrolidine
2-甲基吡咯烷
CAS Number
765-38-8
EC Number
212-144-3
MDL Number
MFCD00014491
PubChem SID
24871446
162074338
PubChem CID
13003

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)
Apperance
Liquid expand Show data source
Boiling Point
97-99 °C/744 mmHg(lit.) expand Show data source
97-99°C°C expand Show data source
Flash Point
2°C(37°F) expand Show data source
3°C°C expand Show data source
Density
0.834 expand Show data source
0.834 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4370 expand Show data source
n20/D 1.437(lit.) expand Show data source
Storage Warning
Highly Flammable/Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2924 expand Show data source
UN2733 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
2 expand Show data source
II expand Show data source
Risk Statements
11-34 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
24/25-36/37/39 expand Show data source
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H225-H314-H318 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Purity
96% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H11N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 478059 external link
Packaging
2, 10 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle