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1397198-94-5 | Cyclooctanemethanamine, N-[4-(1-methylethyl)phenyl]-
CAS No: 1397198-94-5 Catalog No: AG001BL1 MDL No:
Product Description
Catalog Number:
AG001BL1
Chemical Name:
Cyclooctanemethanamine, N-[4-(1-methylethyl)phenyl]-
CAS Number:
1397198-94-5
Molecular Formula:
C18H29N
Molecular Weight:
259.4296
IUPAC Name:
N-(cyclooctylmethyl)-4-propan-2-ylaniline
InChI:
InChI=1S/C18H29N/c1-15(2)17-10-12-18(13-11-17)19-14-16-8-6-4-3-5-7-9-16/h10-13,15-16,19H,3-9,14H2,1-2H3
InChI Key:
LHHTWDUZMLEKPD-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)NCC1CCCCCCC1)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.23g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.437g/mol
Monoisotopic Mass:
259.23g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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