(S)-trans-2-Amino-4-(2-aminoethoxy)-3-butenoic acid hydrochloride

C₆H₁₃ClN₂O₃CAS 55720-26-8196.63 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₆H₁₃ClN₂O₃
Molar mass: 196.63 g/mol
Exact mass: 196.0615 Da
logP: -0.69Crippen estimate
Polar surface area: 98.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55720-26-8

SMILES

Cl.NCCO/C=C/[C@H](N)C(=O)O

InChIKey

ZDCPLYVEFATMJF-BTIOQYSDSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, hydrochloride (1:1), (2S,3E)-
3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, monohydrochloride, [S-(E)]-
3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, monohydrochloride, (2S,3E)-
L-2-Amino-4-(2′-aminoethoxy)-trans-3-butenoic acid hydrochloride
ReTain
ABG 3168
ReTain (plant growth regulator)
Aviglycine hydrochloride

Work with (S)-trans-2-Amino-4-(2-aminoethoxy)-3-butenoic acid hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-2,4-Diaminobutyric acid dihydrochloride1883-09-645 % similar 2,4-Diaminobutyric acid dihydrochloride65427-54-545 % similar DL-ornithine hydrochloride1069-31-443 % similar (R)-Ornithine hydrochloride16682-12-543 % similar Ornithine hydrochloride3184-13-243 % similar Ornithine dihydrochloride6211-16-143 % similar Lysine hydrochloride10098-89-242 % similar Lysine dihydrochloride657-26-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Glutamine methyl ester hydrochloride32668-14-7 D-Glutamine methyl ester hydrochloride74817-54-2

Elsewhere

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