(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: 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 55720-26-8
• MDL Number: MFCD00043020
• Beilstein Number: 6715149
• PubChem SID: 162225233; 24890524; 24891130
• PubChem CID: 16211101

CALCULATED PROPERTIES

• Acid pKa: 2.301444
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -6.575006
• LogD (pH = 7.4): -5.1196375
• Log P: -4.007847
• Molar Refractivity: 39.5901 cm^3
• Polarizability: 15.849842 Å^3
• Polar Surface Area: 98.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble2 mg/mL
• Apperance: powder

Safety Information

• RTECS: EM9080000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (titration); ≥98% (HPLC)
• Grade: PESTANAL®, analytical standard
• Suitability: plant cell culture tested
• Empirical Formula (Hill Notation): C6H12N2O3 · HCl

DETAILS

Sigma Aldrich - A1284

Application
Inhibition of ethylene biosynthesis delays ripening of fruits in plants treated with AVG.1

Sigma Aldrich - A6685

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

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