Boc-beta-alanine

CAS	3303-84-2
Structure
Synonyms	N-(tert-Butyloxycarbonyl)-β-alanine
IUPAC Name	3-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Weight	189.21
Molecular Formula	C8H15NO4
Canonical SMILES	CC(C)(C)OC(=O)NCCC(=O)O
InChI	InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)
InChI Key	WCFJUSRQHZPVKY-UHFFFAOYSA-N
Boiling Point	333.9±25.0 °C
Melting Point	76-78 °C
Purity	98%
Density	1.129±0.06 g/ml
pKa	4.46±0.10
Appearance	White to off-white solid