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1149-26-4

Name N-Carbobenzyloxy-L-valine
CAS 1149-26-4
EINECS(EC#) 214-562-1
Molecular Formula C13H17NO4
MDL Number MFCD00008922
Molecular Weight 251.28
MOL File 1149-26-4.mol
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Chemical Properties

Appearance white to light yellow crystal powde
Melting point  62-64 °C(lit.)
alpha  -4 º (c=2,acetic acid)
Boiling point  394.43°C (rough estimate)
density  0,926g/cm
refractive index  -4.3 ° (C=2, AcOH)
storage temp.  2-8°C
solubility  Acetic Acid, DMSO (Slightly), Ethanol (Slightly)
form  Crystalline Powder
pka 4.00±0.10(Predicted)
color  White to off-white
optical activity [α]20/D 4.2±0.5°, c = 2 in chloroform
BRN  2056617
InChI InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKey CANZBRDGRHNSGZ-NSHDSACASA-N
SMILES C(O)(=O)[C@H](C(C)C)NC(OCC1=CC=CC=C1)=O
CAS DataBase Reference 1149-26-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R38:Irritating to the skin.
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
Hazard Note  Irritant
HS Code  29242990

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