332-80-9

Name 1-Methyl-L-histidine
CAS 332-80-9
EINECS(EC#) 206-368-0
Molecular Formula C7H11N3O2
MDL Number MFCD00005295
Molecular Weight 169.18
MOL File 332-80-9.mol
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Chemical Properties

Melting point  ~240 °C (dec.) (lit.)
alpha  -24 º (c=2% in H2O)
Boiling point  298.47°C (rough estimate)
density  1.2509 (rough estimate)
refractive index  1.5950 (estimate)
storage temp.  2-8°C(protect from light)
solubility  Methanol (Slightly), Water (Slightly, Sonicated)
form  Solid
pka 1.69(at 25℃)
color  Off-White to Pale Beige
Optical Rotation [α]20/D 24±1°, c = 2% in H2O
BRN  9727
Stability: Hygroscopic
Major Application peptide synthesis
InChI 1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey BRMWTNUJHUMWMS-LURJTMIESA-N
SMILES Cn1cnc(C[C@H](N)C(O)=O)c1
CAS DataBase Reference 332-80-9(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
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:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
WGK Germany  3
HS Code  29332900
Storage Class 11 - Combustible Solids

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