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tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate structure

CAS No:
180080-07-3
Formula:
C18H28N2O4
Chemical Name:
tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

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tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Basic Attributes

Molecular Weight：

336.42600

Exact Mass：

336.20490738

DSSTox ID：

DTXSID60442588

Characteristics

PSA：

94.14000

XLogP3：

3.83190

Density：

1.1g/cm3

Boiling Point：

483.026ºC

Flash Point：

245.925ºC

Refractive Index：

1.523

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+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:336.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:336.20490738
Monoisotopic Mass:336.20490738
Topological Polar Surface Area:90.6
Heavy Atom Count:24
Complexity:429
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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