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85586-54-5 | 3-[(4-AMINOCYCLOHEXYL)METHYL]-2-METHYLCYCLOHEXYLAMINE
CAS No: 85586-54-5 Catalog No: AG00525N MDL No:
Product Description
Catalog Number:
AG00525N
Chemical Name:
3-[(4-AMINOCYCLOHEXYL)METHYL]-2-METHYLCYCLOHEXYLAMINE
CAS Number:
85586-54-5
Molecular Formula:
C14H28N2
Molecular Weight:
224.3855
IUPAC Name:
3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine
InChI:
InChI=1S/C14H28N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h10-14H,2-9,15-16H2,1H3
InChI Key:
KSESQIMXKGVXPO-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1)CC1CCCC(C1C)N
EC Number:
287-858-1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.225g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.392g/mol
Monoisotopic Mass:
224.225g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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