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20422-09-7 | 1H-Azepine, 1-dodecylhexahydro-
CAS No: 20422-09-7 Catalog No: AG0029CL MDL No:
Product Description
Catalog Number:
AG0029CL
Chemical Name:
1H-Azepine, 1-dodecylhexahydro-
CAS Number:
20422-09-7
Molecular Formula:
C18H37N
Molecular Weight:
267.4931
IUPAC Name:
1-dodecylazepane
InChI:
InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-19/h2-18H2,1H3
InChI Key:
GUSTUIJJPMXTTI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CCCCCC1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.293g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.501g/mol
Monoisotopic Mass:
267.293g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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