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Ethyl 1,4-diazepane-1-carboxylate ,97%

Ethyl 1,4-diazepane-1-carboxylate ,97% structure

CAS No:
18739-39-4
Formula:
C8H16N2O2
Chemical Name:
Ethyl 1,4-diazepane-1-carboxylate ,97%
Synonyms:
ethyl 1,4-diazepane-1-carboxylate;Ethyl hexahydro-1H-1,4-diazepine-1-carboxylate;SCHEMBL1143951;SCHEMBL9053860;1-ethoxycarbonyl[1,4]diazepane;ethyl 1-homopiperazinecarboxylate;CTK6F9421;ZINC19386449;AKOS000160490;MCULE-8114160079
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow liquid

Ethyl 1,4-diazepane-1-carboxylate ,97% Basic Attributes

Molecular Weight：

172

Exact Mass：

172.121

HScode：

29339900

Characteristics

PSA：

41.6

XLogP3：

0.2

Density：

1.041±0.06 g/cm3(Predicted)

Boiling Point：

257.2±23.0 °C(Predicted)

Safety Information

hazard class code：

26-36

safety instructions：

36/37/38

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:172.22
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:172.121177757
Monoisotopic Mass:172.121177757
Topological Polar Surface Area:41.6
Heavy Atom Count:12
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 1,4-diazepane-1-carboxylate ,97%

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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Ethyl 1,4-diazepane-1-carboxylate ,97%

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