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115833-93-7 molecular structure
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3-(pyrrolidin-1-yl)aniline

ChemBase ID: 17441
Molecular Formular: C10H14N2
Molecular Mass: 162.23156
Monoisotopic Mass: 162.11569846
SMILES and InChIs

SMILES:
c1(N2CCCC2)cc(ccc1)N
Canonical SMILES:
Nc1cccc(c1)N1CCCC1
InChI:
InChI=1S/C10H14N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7,11H2
InChIKey:
DNPBFTQZONVQDX-UHFFFAOYSA-N

Cite this record

CBID:17441 http://www.chembase.cn/molecule-17441.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(pyrrolidin-1-yl)aniline
IUPAC Traditional name
3-(pyrrolidin-1-yl)aniline
Synonyms
3-Pyrrolidin-1-yl-phenylamine
1-(3-Aminophenyl)pyrrolidine
3-(Pyrrolidin-1-yl)aniline 97%
3-pyrrolidin-1-ylaniline
3-(pyrrolidin-1-yl)aniline
CAS Number
115833-93-7
MDL Number
MFCD05259334
PubChem SID
160980748
PubChem CID
1518808

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3304049  LogD (pH = 7.4) 1.6520292 
Log P 1.6581612  Molar Refractivity 52.728 cm3
Polarizability 19.25901 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)
1.714 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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