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24779-98-4 | Tricyclo[3.3.1.13,7]decan-2-ol, 2-(aminomethyl)-, hydrochloride (1:1)
CAS No: 24779-98-4 Catalog No: AG002PEE MDL No:MFCD03104739
Product Description
Catalog Number:
AG002PEE
Chemical Name:
Tricyclo[3.3.1.13,7]decan-2-ol, 2-(aminomethyl)-, hydrochloride (1:1)
CAS Number:
24779-98-4
Molecular Formula:
C11H20ClNO
Molecular Weight:
217.7356
MDL Number:
MFCD03104739
IUPAC Name:
2-(aminomethyl)adamantan-2-ol
InChI:
InChI=1S/C11H19NO/c12-6-11(13)9-2-7-1-8(4-9)5-10(11)3-7/h7-10,13H,1-6,12H2
InChI Key:
KTBCLFLXXIIDQR-UHFFFAOYSA-N
SMILES:
NCC1(O)C2CC3CC1CC(C2)C3.Cl
NSC Number:
145166
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Design and synthesis of bioactive adamantanaminoalcohols and adamantanamines. | European journal of medicinal chemistry 20101101 |
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