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722550-01-8 molecular structure
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4-(pyrrolidin-1-yl)pyridin-2-amine

ChemBase ID: 87488
Molecular Formular: C9H13N3
Molecular Mass: 163.21962
Monoisotopic Mass: 163.11094743
SMILES and InChIs

SMILES:
N1(c2ccnc(c2)N)CCCC1
Canonical SMILES:
Nc1nccc(c1)N1CCCC1
InChI:
InChI=1S/C9H13N3/c10-9-7-8(3-4-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H2,10,11)
InChIKey:
RKWAPJTWMVCWIE-UHFFFAOYSA-N

Cite this record

CBID:87488 http://www.chembase.cn/molecule-87488.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(pyrrolidin-1-yl)pyridin-2-amine
IUPAC Traditional name
4-(pyrrolidin-1-yl)pyridin-2-amine
Synonyms
4-(Pyrrolidin-1-yl)pyridin-2-amine
1-(2-Aminopyridin-4-yl)pyrrolidine
2-Amino-4-(pyrrolidin-1-yl)pyridine
CAS Number
722550-01-8
MDL Number
MFCD08062967
PubChem SID
162074531
PubChem CID
21934587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR30944 external link Add to cart Please log in.
Data Source Data ID
PubChem 21934587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.454805  LogD (pH = 7.4) -0.4020031 
Log P 1.0349463  Molar Refractivity 50.8846 cm3
Polarizability 18.34014 Å3 Polar Surface Area 42.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Keep Cold/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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