6-Aminopenicillanic acid Structure

6-Aminopenicillanic acid

Chemical Properties

Melting point 198-200 °C (dec.)(lit.)
Boiling point 460.2±45.0 °C(Predicted)
alpha  276.3 º (c=1.2, 0.1N HCl 22 ºC)
Density  1.3418 (rough estimate)
refractive index  1.6300 (estimate)
storage temp.  2-8°C
solubility  2.46g/l
form  Fine Powder
pka pKa 2.3 (Uncertain)
color  White to cream
PH 3.4 (100g/l, H2O)
optical activity [α]22/D +276.3°, c = 1.2 in 0.1 M HCl
Water Solubility  Soluble in water and hydrochoric acid.
Merck  14,458
BRN  15080
Stability Light sensitive
InChI 1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
InChIKey NGHVIOIJCVXTGV-SDKNWNMFSA-N
SMILES CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O
LogP -3.87 at 22.5℃
CAS DataBase Reference 551-16-6(CAS DataBase Reference)
FDA UNII QR0C4R7XVN
EPA Substance Registry System 6-Aminopenicillanic acid (551-16-6)
UNSPSC Code 77101502
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xn
Risk Statements  42/43
Safety Statements  22-36/37-45-37-24-36
WGK Germany  2
RTECS  XH8225000
10
TSCA  TSCA listed
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
NFPA 704:
0
2 0

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6-Aminopenicillanic acid Chemical Properties,Usage,Production

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