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1193-16-4 | Cyclohexanamine, 3-methyl-, (1R,3S)-rel-
CAS No: 1193-16-4 Catalog No: AG000IJF MDL No:
Product Description
Catalog Number:
AG000IJF
Chemical Name:
Cyclohexanamine, 3-methyl-, (1R,3S)-rel-
CAS Number:
1193-16-4
Molecular Formula:
C7H15N
Molecular Weight:
113.2007
IUPAC Name:
(1S,3R)-3-methylcyclohexan-1-amine
InChI:
InChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1
InChI Key:
JYDYHSHPBDZRPU-RQJHMYQMSA-N
SMILES:
C[C@H]1CCC[C@H](C1)N
Properties
Complexity:
70.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
113.12g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.204g/mol
Monoisotopic Mass:
113.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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