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55720-26-8 molecular structure
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(2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid hydrochloride

ChemBase ID: 130955
Molecular Formular: C6H13ClN2O3
Molecular Mass: 196.63202
Monoisotopic Mass: 196.06146997
SMILES and InChIs

SMILES:
C(CO/C=C/[C@@H](C(=O)O)N)N.Cl
Canonical SMILES:
N[C@H](C(=O)O)/C=C/OCCN.Cl
InChI:
InChI=1S/C6H12N2O3.ClH/c7-2-4-11-3-1-5(8)6(9)10;/h1,3,5H,2,4,7-8H2,(H,9,10);1H/b3-1+;/t5-;/m0./s1
InChIKey:
ZDCPLYVEFATMJF-BTIOQYSDSA-N

Cite this record

CBID:130955 http://www.chembase.cn/molecule-130955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid hydrochloride
(2S,3E)-2-amino-4-(2-aminoethoxy)but-3-enoic acid hydrochloride
IUPAC Traditional name
(2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid hydrochloride
(2S,3E)-2-amino-4-(2-aminoethoxy)but-3-enoic acid hydrochloride
Synonyms
(S)-trans-2-Amino-4-(2-aminoethoxy)-3-butenoic acid hydrochloride
L-α-(2-Aminoethoxyvinyl)glycine hydrochloride
Aminoethoxyvinyl glycine hydrochloride
AVG-HCl
(S)-trans-2-Amino-4-(2-aminoethoxy)-3-butenoic acid hydrochloride
(S)-反-2-氨基-4-(2-氨基乙氧基)-3-丁烯酸 盐酸盐
艾维激素 盐酸盐
L-α-(2-氨基乙氧基乙烯基)甘氨酸 盐酸盐
(S)-反-2-氨基-4-(2-氨基乙氧基)-3-丁烯酸 盐酸盐
CAS Number
55720-26-8
MDL Number
MFCD00043020
Beilstein Number
6715149
PubChem SID
162225233
24891130
24890524
PubChem CID
16211101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.301444  H Acceptors
H Donor LogD (pH = 5.5) -6.575006 
LogD (pH = 7.4) -5.1196375  Log P -4.007847 
Molar Refractivity 39.5901 cm3 Polarizability 15.849842 Å3
Polar Surface Area 98.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble2 mg/mL expand Show data source
Apperance
powder expand Show data source
RTECS
EM9080000 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
2 expand Show data source
Risk Statements
37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% (titration) expand Show data source
≥98% (HPLC) expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Suitability
plant cell culture tested expand Show data source
Empirical Formula (Hill Notation)
C6H12N2O3 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A1284 external link
Application
Inhibition of ethylene biosynthesis delays ripening of fruits in plants treated with AVG.1
Sigma Aldrich - A6685 external link
Application
Inhibition of ethylene biosynthesis delays ripening of fruits in plants treated with AVG.1
Biochem/physiol Actions
Aminoethoxyvinylglycine (AVG) is an ethylene synthesis inhibitor used to study the roles of ethylene in plant processes such as gravitropism and fasciation/cresting.
Sigma Aldrich - 32999 external link
Application
Inhibition of ethylene biosynthesis delays ripening of fruits in plants treated with AVG.1
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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