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1313738-93-0 molecular structure
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(3-methylpyrrolidin-3-yl)methanamine hydrochloride

ChemBase ID: 63851
Molecular Formular: C6H15ClN2
Molecular Mass: 150.6497
Monoisotopic Mass: 150.09237617
SMILES and InChIs

SMILES:
Cl.CC1(CN)CCNC1
Canonical SMILES:
NCC1(C)CNCC1.Cl
InChI:
InChI=1S/C6H14N2.ClH/c1-6(4-7)2-3-8-5-6;/h8H,2-5,7H2,1H3;1H
InChIKey:
FRQWHAZEJHQKRP-UHFFFAOYSA-N

Cite this record

CBID:63851 http://www.chembase.cn/molecule-63851.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-methylpyrrolidin-3-yl)methanamine hydrochloride
IUPAC Traditional name
(3-methylpyrrolidin-3-yl)methanamine hydrochloride
Synonyms
(3-Methylpyrrolidin-3-yl)methanamine hydrochloride
CAS Number
1313738-93-0
MDL Number
MFCD19443964
PubChem SID
162029590
PubChem CID
53346547

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069176 external link Add to cart Please log in.
Data Source Data ID
PubChem 53346547 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.2145534  LogD (pH = 7.4) -4.448124 
Log P -0.43176028  Molar Refractivity 34.5363 cm3
Polarizability 14.118806 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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

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PATENTS

PATENTS

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INTERNET

INTERNET

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