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145348-77-2 | 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-
CAS No: 145348-77-2 Catalog No: AG001KTR MDL No:MFCD11206491
Product Description
Catalog Number:
AG001KTR
Chemical Name:
1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-
CAS Number:
145348-77-2
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD11206491
IUPAC Name:
2,3,4,5-tetrahydro-1-benzoxepin-5-amine
InChI:
InChI=1S/C10H13NO/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9H,3,5,7,11H2
InChI Key:
QJQARXIEBJBMRM-UHFFFAOYSA-N
SMILES:
NC1CCCOc2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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