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81810-85-7 | 1H-Azepine, hexahydro-1,3,3,5-tetramethyl-
CAS No: 81810-85-7 Catalog No: AG0056Q7 MDL No:
Product Description
Catalog Number:
AG0056Q7
Chemical Name:
1H-Azepine, hexahydro-1,3,3,5-tetramethyl-
CAS Number:
81810-85-7
Molecular Formula:
C10H21N
Molecular Weight:
155.2804
IUPAC Name:
1,3,3,5-tetramethylazepane
InChI:
InChI=1S/C10H21N/c1-9-5-6-11(4)8-10(2,3)7-9/h9H,5-8H2,1-4H3
InChI Key:
PTSMCPVTLLSOHH-UHFFFAOYSA-N
SMILES:
CC1CCN(CC(C1)(C)C)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.285g/mol
Monoisotopic Mass:
155.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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