 Home > Encyclopedia > 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, hydrochloride (1:1), (3R,5S)-rel-

1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, hydrochloride (1:1), (3R,5S)-rel-

1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, hydrochloride (1:1), (3R,5S)-rel- structure

CAS No:
77956-93-5
Formula:
C11H15NO2.ClH
Chemical Name:
1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, hydrochloride (1:1), (3R,5S)-rel-
Synonyms:
1-Benzoxepin-5-ol,2,3,4,5-tetrahydro-3-(methylamino)-,hydrochloride (1:1),(3R,5S)-rel-;1-Benzoxepin-5-ol,2,3,4,5-tetrahydro-3-(methylamino)-,hydrochloride,cis-(±)-;1-Benzoxepin-5-ol,2,3,4,5-tetrahydro-3-(methylamino)-,hydrochloride,(3R,5S)-rel-;KC 2450;1-Benzoxepin-5-ol,2,3,4,5-tetrahydro-3-(methylamino)-,hydrochloride,cis-;102220-66-6

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1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, hydrochloride (1:1), (3R,5S)-rel- Basic Attributes

Molecular Weight：

229.70 g/mol

Exact Mass：

229.0869564 g/mol

EC Number：

278-801-1

DSSTox ID：

DTXSID40228625

Characteristics

PSA：

41.5 Å²

Computed Properties

Molecular Weight:229.70
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:229.0869564
Monoisotopic Mass:229.0869564
Topological Polar Surface Area:41.5
Heavy Atom Count:15
Complexity:186
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, hydrochloride (1:1), (3R,5S)-rel-

Basic Attributes
Characteristics
Computed Properties

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