562-10-7

Name Doxylamine succinate
CAS 562-10-7
EINECS(EC#) 209-228-7
Molecular Formula C21H28N2O5
MDL Number MFCD00056168
Molecular Weight 388.46
MOL File 562-10-7.mol

Chemical Properties

Appearance white to light cream powder
Melting point  95-98?C
Fp  9℃
storage temp.  2-8°C
solubility  Very soluble in water, freely soluble in ethanol (96 per cent).
form  neat
color  White to Off-White
Stability: Stable, but may be light sensitive. Incompatible with strong oxidizing agents, acids, bases.
InChI InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
InChIKey KBAUFVUYFNWQFM-UHFFFAOYSA-N
SMILES C(C)(OCCN(C)C)(C1=NC=CC=C1)C1C=CC=CC=1.C(C(=O)O)CC(=O)O
LogP 2.519 (est)
CAS DataBase Reference 562-10-7(CAS DataBase Reference)
IARC 3 (Vol. 79) 2001
EPA Substance Registry System 562-10-7(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  2
RTECS  US9275000
HS Code  2933399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
STOT SE 3
Toxicity
LD50 in mice, rabbits (mg/kg): 470, 250 orally; 62, 49 i.v.; in mice, male rats, female rats (mg/kg): 460, 440, 445 s.c. (Brown, Werner)

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