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Chemical structure of N-β-alanyldopamine hydrochloride

GC61972

N-β-alanyldopamine hydrochloride

Also known as 3-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide;hydrochloride

N-β-alanyldopamine hydrochloride (NBAD hydrochloride) is the major dopamine derivative in haemolymph

ChemicalCAS58077-93-3MW260.72FormulaC11H17ClN2O3
CAS number
58077-93-3
Molecular weight
260.72
Formula
C11H17ClN2O3
Solubility
Water ： 125 mg/mL (479·44 mM)
InChIKey
LLFAHTAIALXURP-UHFFFAOYSA-N
Catalogue number
GC61972
Brand
GLPBIO
Computed properties PubChem CID 146681205 · TPSA 95.6 Ų · H-bond donors 5 · H-bond acceptors 4
TPSA
95.6 Ų
H-bond donors
5
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17

SMILES C1=CC(=C(C=C1CCNC(=O)CCN)O)O.Cl

Computed descriptors from PubChem (CID 146681205), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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