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16091-96-6 | 2-(1-Adamantyl)glycine hydrochloride
CAS No: 16091-96-6 Catalog No: AG003AUA MDL No:
Product Description
Catalog Number:
AG003AUA
Chemical Name:
2-(1-Adamantyl)glycine hydrochloride
CAS Number:
16091-96-6
Molecular Formula:
C12H20ClNO2
Molecular Weight:
245.7457
IUPAC Name:
2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
InChI:
InChI=1S/C12H19NO2.ClH/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12;/h7-10H,1-6,13H2,(H,14,15);1H
InChI Key:
HEUUMSMIQNBXML-UHFFFAOYSA-N
SMILES:
NC(C12CC3CC(C2)CC(C1)C3)C(=O)O.Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.747g/mol
Monoisotopic Mass:
245.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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