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34570-16-6 molecular structure
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ethyl 3-amino-3-ethoxyprop-2-enoate hydrochloride

ChemBase ID: 84552
Molecular Formular: C7H14ClNO3
Molecular Mass: 195.64396
Monoisotopic Mass: 195.06622099
SMILES and InChIs

SMILES:
O(CC)C(=O)/C=C(/OCC)\N.Cl
Canonical SMILES:
CCO/C(=C/C(=O)OCC)/N.Cl
InChI:
InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h5H,3-4,8H2,1-2H3;1H
InChIKey:
JYGHNNMPKVPTKF-UHFFFAOYSA-N

Cite this record

CBID:84552 http://www.chembase.cn/molecule-84552.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-amino-3-ethoxyprop-2-enoate hydrochloride
ethyl (2E)-3-amino-3-ethoxyprop-2-enoate hydrochloride
IUPAC Traditional name
ethyl 3-amino-3-ethoxyprop-2-enoate hydrochloride
ethyl (2E)-3-amino-3-ethoxyprop-2-enoate hydrochloride
Synonyms
Ethyl 3-amino-3-ethoxyprop-2-enoate hydrochloride
Ethyl 3-amino-3-ethoxyacrylate hydrochloride
Ethyl 3-amino-3-ethoxyacrylate hydrochloride
3-氨基-3-乙氧基丙烯酸乙酯 盐酸盐
CAS Number
34570-16-6
MDL Number
MFCD00012221
PubChem SID
162071668
24858328
PubChem CID
16211933

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211933 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7891062  LogD (pH = 7.4) 0.7891062 
Log P 0.7891062  Molar Refractivity 51.2226 cm3
Polarizability 16.018576 Å3 Polar Surface Area 61.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
103-105 °C(lit.) expand Show data source
103-105°C expand Show data source
Storage Warning
Irritant/Keep Cold 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
26-37/39 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
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Linear Formula
CH3CH2OC(NH2)=CHCO2CH2CH3 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 304115 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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