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26116-15-4 molecular structure
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[1-(propan-2-yl)pyrrolidin-2-yl]methanamine

ChemBase ID: 72260
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(C(CN)CCC1)C(C)C
Canonical SMILES:
NCC1CCCN1C(C)C
InChI:
InChI=1S/C8H18N2/c1-7(2)10-5-3-4-8(10)6-9/h7-8H,3-6,9H2,1-2H3
InChIKey:
GDRVIRMOAGAAGC-UHFFFAOYSA-N

Cite this record

CBID:72260 http://www.chembase.cn/molecule-72260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(propan-2-yl)pyrrolidin-2-yl]methanamine
IUPAC Traditional name
(1-isopropylpyrrolidin-2-yl)methanamine
Synonyms
[(1-Isopropylpyrrolidin-2-yl)methyl]amine
1-(1-isopropyl-2-pyrrolidinyl)methanamine
CAS Number
26116-15-4
MDL Number
MFCD04114072
PubChem SID
162037344
PubChem CID
2762717

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2762717 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.274691  LogD (pH = 7.4) -2.2664971 
Log P 0.6321332  Molar Refractivity 44.3165 cm3
Polarizability 17.811394 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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