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3-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-one

3-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-one - CAS 86499-35-6

Catalog:	BB037961
Product Name:	3-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-one
CAS:	86499-35-6
Synonyms:	3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one; 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
Description:	3-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-one (CAS# 86499-35-6) is a useful research chemical.
Molecular Weight:	176.22
Molecular Formula:	C10H12N2O
Canonical SMILES:	C1CC2=CC=CC=C2NC(=O)C1N
InChI:	InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)
InChI Key:	AUAKXRGQXZRTQC-UHFFFAOYSA-N
Boiling Point:	377.5 °C at 760 mmHg
Density:	1.143 g/cm³
MDL:	MFCD02258897
LogP:	1.73690

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6