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tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate

tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate structure

CAS No:
190900-21-1
Formula:
C10H18N2O3
Chemical Name:
tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate
Synonyms:
5-oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester; 5-oxo-[1,4]diazepane-1-carboxylic acid t-butyl ester; 1-n-boc-5-oxo-1,4-diazepane; 1-(tert-butoxycarbonyl)hexahydro-(5H)-1,4-diazepin-5-one; 1,1-dimethylethyl hexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate; 1-(tert-butoxycarbonyl)hexahydro-(5H)-1,4-diazepine-5-one;Expand

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tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate Basic Attributes

Molecular Weight：

214.26200

Exact Mass：

214.13174244

DSSTox ID：

DTXSID00626981

HScode：

2933990090

Characteristics

PSA：

58.64000

XLogP3：

1.01010

Density：

1.098g/cm3

Boiling Point：

373.1ºC

Flash Point：

179.4ºC

Refractive Index：

1.475

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:214.26
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:214.13174244
Monoisotopic Mass:214.13174244
Topological Polar Surface Area:58.6
Heavy Atom Count:15
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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