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113641-57-9 | 1,5-Diazecine, decahydro-6-methyl-1-(phenylmethyl)-
CAS No: 113641-57-9 Catalog No: AG00097K MDL No:
Product Description
Catalog Number:
AG00097K
Chemical Name:
1,5-Diazecine, decahydro-6-methyl-1-(phenylmethyl)-
CAS Number:
113641-57-9
Molecular Formula:
C16H26N2
Molecular Weight:
246.3910
IUPAC Name:
1-benzyl-6-methyl-1,5-diazecane
InChI:
InChI=1S/C16H26N2/c1-15-8-5-6-12-18(13-7-11-17-15)14-16-9-3-2-4-10-16/h2-4,9-10,15,17H,5-8,11-14H2,1H3
InChI Key:
WENZOTKIEMSEIP-UHFFFAOYSA-N
SMILES:
CC1CCCCN(CCCN1)Cc1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.21g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.398g/mol
Monoisotopic Mass:
246.21g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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