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13190-57-3 | Cyclohexanamine, 4,4'-methylenebis[3-methyl-
CAS No: 13190-57-3 Catalog No: AG000ZW5 MDL No:
Product Description
Catalog Number:
AG000ZW5
Chemical Name:
Cyclohexanamine, 4,4'-methylenebis[3-methyl-
CAS Number:
13190-57-3
Molecular Formula:
C15H30N2
Molecular Weight:
238.4121
IUPAC Name:
4-[(4-amino-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-amine
InChI:
InChI=1S/C15H30N2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h10-15H,3-9,16-17H2,1-2H3
InChI Key:
NTGJOYPFNABNES-UHFFFAOYSA-N
SMILES:
NC1CCC(C(C1)C)CC1CCC(CC1C)N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.241g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.419g/mol
Monoisotopic Mass:
238.241g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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