(S)-(+)-2-Amino-4-bromobutyric Acid Hydrobromide

C₄H₉Br₂NO₂CAS 15159-65-6262.93 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₉Br₂NO₂
Molar mass: 262.93 g/mol
Exact mass: 260.9000 Da
logP: 0.76Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15159-65-6

SMILES

C(CBr)[C@@H](C(=O)O)N.Br

InChIKey

JDLMXICGDYZOJH-DFWYDOINSA-N

InChI

InChI=1S/C4H8BrNO2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/m0./s1

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Names and synonyms

1 names

L(+)-2-Amino-4-bromobutyric acid hydrobromide

Work with (S)-(+)-2-Amino-4-bromobutyric Acid Hydrobromide

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

Poly(L-lysine) hydrobromide25988-63-059 % similar Poly-D-lysine hydrobromide27964-99-459 % similar Diaminopimelic acid583-93-759 % similar Homocystine462-10-258 % similar Homocystine626-72-258 % similar DL-Homocystine870-93-958 % similar L-2,4-Diaminobutyric acid1758-80-155 % similar Homoserine1927-25-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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