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80904-86-5 | (3-ISOPROPYL-1-ADAMANTYL)AMINE
CAS No: 80904-86-5 Catalog No: AG005IA8 MDL No:MFCD01838786
Product Description
Catalog Number:
AG005IA8
Chemical Name:
(3-ISOPROPYL-1-ADAMANTYL)AMINE
CAS Number:
80904-86-5
Molecular Formula:
C13H23N
Molecular Weight:
193.3284
MDL Number:
MFCD01838786
IUPAC Name:
3-propan-2-yladamantan-1-amine
InChI:
InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3
InChI Key:
UNZLVAUDWGXALA-UHFFFAOYSA-N
SMILES:
CC(C12CC3CC(C1)CC(C2)(C3)N)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.334g/mol
Monoisotopic Mass:
193.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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