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182291-66-3 | Tricyclo[3.3.1.13,7]decane-1-propanoic acid, α-amino-, hydrochloride (1:1)
CAS No: 182291-66-3 Catalog No: AG0023LB MDL No:MFCD28166323
Product Description
Catalog Number:
AG0023LB
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-propanoic acid, α-amino-, hydrochloride (1:1)
CAS Number:
182291-66-3
Molecular Formula:
C13H22ClNO2
Molecular Weight:
259.7723
MDL Number:
MFCD28166323
IUPAC Name:
3-(1-adamantyl)-2-aminopropanoic acid;hydrochloride
InChI:
InChI=1S/C13H21NO2.ClH/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13;/h8-11H,1-7,14H2,(H,15,16);1H
InChI Key:
NSPGPACVPPNYAP-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CC12CC3CC(C2)CC(C1)C3.Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.774g/mol
Monoisotopic Mass:
259.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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