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189095-13-4 | L-Histidine, 1-decyl-
CAS No: 189095-13-4 Catalog No: AG002HVB MDL No:
Product Description
Catalog Number:
AG002HVB
Chemical Name:
L-Histidine, 1-decyl-
CAS Number:
189095-13-4
Molecular Formula:
C16H29N3O2
Molecular Weight:
295.4204
IUPAC Name:
(2S)-2-amino-3-(1-decylimidazol-4-yl)propanoic acid
InChI:
InChI=1S/C16H29N3O2/c1-2-3-4-5-6-7-8-9-10-19-12-14(18-13-19)11-15(17)16(20)21/h12-13,15H,2-11,17H2,1H3,(H,20,21)/t15-/m0/s1
InChI Key:
AMILYWOFKWASDI-HNNXBMFYSA-N
SMILES:
CCCCCCCCCCn1cnc(c1)C[C@@H](C(=O)O)N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.226g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.427g/mol
Monoisotopic Mass:
295.226g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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