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121428-29-3 | DL-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 121428-29-3 Catalog No: AG00386N MDL No:MFCD00090846
Product Description
Catalog Number:
AG00386N
Chemical Name:
DL-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
121428-29-3
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
MDL Number:
MFCD00090846
IUPAC Name:
3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChI Key:
AYMLQYFMYHISQO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1nc[nH]c1
NSC Number:
334942
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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