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42303-42-4 molecular structure
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ethyl 1-aminocyclopropane-1-carboxylate hydrochloride

ChemBase ID: 67621
Molecular Formular: C6H12ClNO2
Molecular Mass: 165.61798
Monoisotopic Mass: 165.05565631
SMILES and InChIs

SMILES:
C1(CC1)(C(=O)OCC)N.Cl
Canonical SMILES:
CCOC(=O)C1(N)CC1.Cl
InChI:
InChI=1S/C6H11NO2.ClH/c1-2-9-5(8)6(7)3-4-6;/h2-4,7H2,1H3;1H
InChIKey:
XFNUTZWASODOQK-UHFFFAOYSA-N

Cite this record

CBID:67621 http://www.chembase.cn/molecule-67621.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-aminocyclopropane-1-carboxylate hydrochloride
IUPAC Traditional name
ethyl 1-aminocyclopropane-1-carboxylate hydrochloride
Synonyms
1-Aminocyclopropane-1-carboxylic acid ethyl ester hydrochloride
Ethyl 1-aminocyclopropanecarboxylate hydrochloride
CAS Number
42303-42-4
MDL Number
MFCD00190747
PubChem SID
162033356
PubChem CID
386203

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 386203 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6667749  LogD (pH = 7.4) -0.17456454 
Log P 0.04893814  Molar Refractivity 32.7721 cm3
Polarizability 13.364334 Å3 Polar Surface Area 52.32 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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