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102395-13-1 | Tricyclo[3.3.1.13,7]decan-1-amine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS No: 102395-13-1 Catalog No: AG0007BL MDL No:
Product Description
Catalog Number:
AG0007BL
Chemical Name:
Tricyclo[3.3.1.13,7]decan-1-amine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS Number:
102395-13-1
Molecular Formula:
C16H25NO7
Molecular Weight:
343.3722
IUPAC Name:
adamantan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
InChI:
InChI=1S/C10H17N.C6H8O7.H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;7-3(8)1-6(13,5(11)12)2-4(9)10;/h7-9H,1-6,11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChI Key:
JOHUDFNPAHHBSG-UHFFFAOYSA-N
SMILES:
NC12CC3CC(C2)CC(C1)C3.OC(=O)CC(C(=O)O)(CC(=O)O)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
361.391g/mol
Monoisotopic Mass:
361.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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