Synonyms
(S)-2-Aminopropanoic acid
IUPAC Name
4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular Weight
89.09
Molecular Formula
C3H7NO2
Canonical SMILES
CNCC(C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
InChI Key
UCTWMZQNUQWSLP-VIFPVBQESA-N
Boiling Point
212.9±23.0 °C
Melting Point
314.5 °C
Flash Point
82.6 °C
Purity
99%
Density
1.432 g/cm³
Solubility
Very slightly soluble in alcohol
Appearance
Solid
Storage
2-8 °C
Assay
0.99
Color Form
Orthorhombic crystals from water;White crystalline powder;
Complexity
154
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
EC Number
200-273-8
Exact Mass
183.08954328
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
6
Isomeric SMILES
CNC[C@@H](C1=CC(=C(C=C1)O)O)O
Monoisotopic Mass
183.08954328
Odor
Odorless;
Other Experimental
PRISMS; DECOMP @ 204 DEG C /L-ALANINE HYDROCHLORIDE/;IR: 164 (Sadtler Research Laboratories IR Grating Collection) /Alpha-alanine (dl)/;UV: 2-10 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Alpha-alanine (dl)/;NMR: 7552 (Sadtler Research Laboratories Spectral Collection) /Alpha-alanine (dl)/;Henry's Law constant = 1.5X10-9 atm-cu m/mol at 25 deg C (est);Hydroxyl radical reaction rate constant = 3.5X10-11 cu cm/molecule-sec at 25 deg C (est);
Refractive Index
1.4650
Rotatable Bond Count
1
Stability
Stable. Incompatible with strong oxidizing agents.
Topological Polar Surface Area
72.7 Ų
UNII
OF5P57N2ZX
Vapor Pressure
1.05X10-7 mm Hg at 25 deg C (est);
