Home > Compound List > Compound details
50998-03-3 molecular structure
click picture or here to close

1-(pyrrolidin-1-yl)propan-2-amine

ChemBase ID: 30830
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
N1(CC(N)C)CCCC1
Canonical SMILES:
CC(CN1CCCC1)N
InChI:
InChI=1S/C7H16N2/c1-7(8)6-9-4-2-3-5-9/h7H,2-6,8H2,1H3
InChIKey:
ZLGZKMHJXLDWSP-UHFFFAOYSA-N

Cite this record

CBID:30830 http://www.chembase.cn/molecule-30830.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyrrolidin-1-yl)propan-2-amine
IUPAC Traditional name
1-(pyrrolidin-1-yl)propan-2-amine
Synonyms
1-(pyrrolidin-1-yl)propan-2-amine
1-Methyl-2-pyrrolidin-1-yl-ethylamine
1-(1-pyrrolidinyl)-2-propanamine
CAS Number
50998-03-3
MDL Number
MFCD01318919
PubChem SID
160994137
PubChem CID
15616489

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15616489 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.9711676  LogD (pH = 7.4) -2.7553253 
Log P 0.21555814  Molar Refractivity 39.8977 cm3
Polarizability 15.965017 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.633 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

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