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116183-82-5 molecular structure
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(3R)-pyrrolidin-3-amine

ChemBase ID: 146589
Molecular Formular: C4H10N2
Molecular Mass: 86.1356
Monoisotopic Mass: 86.08439833
SMILES and InChIs

SMILES:
C1CNC[C@@H]1N
Canonical SMILES:
N[C@H]1CNCC1
InChI:
InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m1/s1
InChIKey:
NGXSWUFDCSEIOO-SCSAIBSYSA-N

Cite this record

CBID:146589 http://www.chembase.cn/molecule-146589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-pyrrolidin-3-amine
IUPAC Traditional name
(3R)-pyrrolidin-3-amine
Synonyms
(R)-(+)-3-Aminopyrrolidine
(R)-Pyrrolidin-3-aMine
(R)-(+)-3-氨基吡咯烷
CAS Number
116183-82-5
MDL Number
MFCD00143190
PubChem SID
24878496
162240783
PubChem CID
1519352

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1519352 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.116508  LogD (pH = 7.4) -4.3484693 
Log P -1.0416604  Molar Refractivity 25.2098 cm3
Polarizability 10.427217 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
164-165 °C(lit.) expand Show data source
Flash Point
145.4 °F expand Show data source
63 °C expand Show data source
Density
0.984 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.489(lit.) expand Show data source
Optical Rotation
[α]/D +20°, neat expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C4H10N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 540781 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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