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6149-92-4 molecular structure
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pyrrolidin-2-ylmethanamine dihydrochloride

ChemBase ID: 289375
Molecular Formular: C5H14Cl2N2
Molecular Mass: 173.08406
Monoisotopic Mass: 172.05340382
SMILES and InChIs

SMILES:
NCC1NCCC1.Cl.Cl
Canonical SMILES:
NCC1CCCN1.Cl.Cl
InChI:
InChI=1S/C5H12N2.2ClH/c6-4-5-2-1-3-7-5;;/h5,7H,1-4,6H2;2*1H
InChIKey:
QZRLFKCODRAOAY-UHFFFAOYSA-N

Cite this record

CBID:289375 http://www.chembase.cn/molecule-289375.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrrolidin-2-ylmethanamine dihydrochloride
IUPAC Traditional name
2-pyrrolidinemethanamine dihydrochloride
Synonyms
2-(Aminomethyl)pyrrolidine dihydrochloride
CAS Number
6149-92-4
MDL Number
MFCD11974897
PubChem SID
180674906
PubChem CID
57345807

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD219972 Please log in.
Data Source Data ID
PubChem 57345807 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.5674543  LogD (pH = 7.4) -3.8617754 
Log P -0.5242977  Molar Refractivity 29.8544 cm3
Polarizability 12.272833 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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