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58108-05-7 molecular structure
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octahydrocyclopenta[c]pyrrol-2-amine hydrochloride

ChemBase ID: 150485
Molecular Formular: C7H15ClN2
Molecular Mass: 162.6604
Monoisotopic Mass: 162.09237617
SMILES and InChIs

SMILES:
C1CC2CN(CC2C1)N.Cl
Canonical SMILES:
NN1CC2C(C1)CCC2.Cl
InChI:
InChI=1S/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H
InChIKey:
WPYNXKFLSQEEFE-UHFFFAOYSA-N

Cite this record

CBID:150485 http://www.chembase.cn/molecule-150485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octahydrocyclopenta[c]pyrrol-2-amine hydrochloride
IUPAC Traditional name
hexahydro-1H-cyclopenta[c]pyrrol-2-amine hydrochloride
Synonyms
3-Amino-3-azabicyclo[3.3.0]octane hydrochloride
Hexahydrocyclopenta[c]pyrrol-2(1H)-amine hydrochloride
3-氨基-3-氮杂双环[3.3.0]辛烷 盐酸盐
CAS Number
58108-05-7
EC Number
261-131-9
MDL Number
MFCD00792451
PubChem SID
162244646
24874267
PubChem CID
16213802

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16213802 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.39610082  LogD (pH = 7.4) 0.2302746 
Log P 0.24856569  Molar Refractivity 38.4605 cm3
Polarizability 15.022503 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)
Melting Point
170-174 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C7H14N2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 522341 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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