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113395-47-4 | Carbamic acid, phenyl-, compd. with cyclohexanamine (1:1) (9CI)
CAS No: 113395-47-4 Catalog No: AG0008E9 MDL No:
Product Description
Catalog Number:
AG0008E9
Chemical Name:
Carbamic acid, phenyl-, compd. with cyclohexanamine (1:1) (9CI)
CAS Number:
113395-47-4
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
IUPAC Name:
cyclohexanamine;phenylcarbamic acid
InChI:
InChI=1S/C7H7NO2.C6H13N/c9-7(10)8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5,8H,(H,9,10);6H,1-5,7H2
InChI Key:
MRHXKMVEOFQNOG-UHFFFAOYSA-N
SMILES:
NC1CCCCC1.OC(=O)Nc1ccccc1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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