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4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one

4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one structure

CAS No:
845651-57-2
Formula:
C17H21NO2
Chemical Name:
4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one
Synonyms:
4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one;2H-1-Benzopyran-2-one, 4-[(hexahydro-1H-azepin-1-yl)methyl]-7-methyl-

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4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one Basic Attributes

Molecular Weight：

271.35

Exact Mass：

271.157228913 g/mol

Characteristics

PSA：

29.5 Å²

Density：

1.129±0.06 g/cm3

Melting Point：

121-122 °C(Solv: ethanol (64-17-5))

Boiling Point：

422.2±45.0 °C(Predicted)

PKA：

8.14±0.20

Computed Properties

Molecular Weight:271.35
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:271.157228913
Monoisotopic Mass:271.157228913
Topological Polar Surface Area:29.5
Heavy Atom Count:20
Complexity:383
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: potassium sulfide; interspinous ligament; pyrilamine; ribose 5 phosphate; chlorphenamine maleate; calcium bromide formula

Guide of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one

Basic Attributes
Characteristics
Computed Properties

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