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ethyl azepane-1-carboxylate

ethyl azepane-1-carboxylate structure

CAS No:
27031-51-2
Formula:
C9H17NO2
Chemical Name:
ethyl azepane-1-carboxylate
Synonyms:
ethyl azepane-1-carboxylate;27031-51-2;UNII-B8CA7D80IF;B8CA7D80IF;1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-, ETHYL ESTER;Hexamethylene-urethane;NSC 30498;BRN 1342774;AI3-37769;NSC30498;Hexamethyleneurethane;ethyl 1-azepanecarboxylate;5-20-04-00033 (Beilstein Handbook Reference);ethyl azaperhydroepinecarboxylate;SCHEMBL11488922;DTXSID90181514;ZINC4768898;NSC-30498;STK448732;AKOS003268539;MCULE-9546533625;1H-Azepine-1-carboxylic acid, ethyl ester;ST50541514;Hexahydro-1H-azepine-1-carboxylic acid ethyl ester

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ethyl azepane-1-carboxylate Basic Attributes

Molecular Weight：

171.24 g/mol

Exact Mass：

171.125928785 g/mol

UNII：

B8CA7D80IF

NSC Number：

30498

DSSTox ID：

DTXSID90181514

Characteristics

PSA：

29.5 Å²

Computed Properties

Molecular Weight:171.24
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:171.125928785
Monoisotopic Mass:171.125928785
Topological Polar Surface Area:29.5
Heavy Atom Count:12
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl azepane-1-carboxylate

Basic Attributes
Characteristics
Computed Properties
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