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1171172-85-2 molecular structure
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1-(2-chloroethyl)azetidine hydrochloride

ChemBase ID: 74400
Molecular Formular: C5H11Cl2N
Molecular Mass: 156.05354
Monoisotopic Mass: 155.02685472
SMILES and InChIs

SMILES:
N1(CCC1)CCCl.Cl
Canonical SMILES:
ClCCN1CCC1.Cl
InChI:
InChI=1S/C5H10ClN.ClH/c6-2-5-7-3-1-4-7;/h1-5H2;1H
InChIKey:
PNJALMPAYLYJFL-UHFFFAOYSA-N

Cite this record

CBID:74400 http://www.chembase.cn/molecule-74400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-chloroethyl)azetidine hydrochloride
IUPAC Traditional name
1-(2-chloroethyl)azetidine hydrochloride
Synonyms
1-(2-Chloroethyl)azetane hydrochloride
1-(2-Chloroethyl)azacyclobutane hydrochloride
1-(2-Chloroethyl)azetidine hydrochloride 98%
CAS Number
1171172-85-2
MDL Number
MFCD07368284
PubChem SID
162039319
PubChem CID
44119110

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 44119110 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3681736  LogD (pH = 7.4) 0.31478736 
Log P 0.7430941  Molar Refractivity 32.2278 cm3
Polarizability 12.559582 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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