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1-(1,1-Dimethylethyl) (2S)-2-(2-propen-1-yl)-1,2-pyrrolidinedicarboxylate

1-(1,1-Dimethylethyl) (2S)-2-(2-propen-1-yl)-1,2-pyrrolidinedicarboxylate structure

CAS No:
706806-59-9
Formula:
C13H21NO4
Chemical Name:
1-(1,1-Dimethylethyl) (2S)-2-(2-propen-1-yl)-1,2-pyrrolidinedicarboxylate
Synonyms:
1,2-Pyrrolidinedicarboxylic acid,2-(2-propen-1-yl)-,1-(1,1-dimethylethyl) ester,(2S)-;1,2-Pyrrolidinedicarboxylic acid,2-(2-propenyl)-,1-(1,1-dimethylethyl) ester,(2S)-;1-(1,1-Dimethylethyl) (2S)-2-(2-propen-1-yl)-1,2-pyrrolidinedicarboxylate;(S)-2-Allyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid;(S)-2-Allyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

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1-(1,1-Dimethylethyl) (2S)-2-(2-propen-1-yl)-1,2-pyrrolidinedicarboxylate Basic Attributes

Molecular Weight：

255.312

Exact Mass：

255.31

DSSTox ID：

DTXSID30428036

HScode：

2933990090

Characteristics

PSA：

66.8

XLogP3：

2.35470

Density：

1.125g/cm3

Boiling Point：

364.3ºC at 760 mmHg

Flash Point：

174.1ºC

Refractive Index：

1.498

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:255.31
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:255.14705815
Monoisotopic Mass:255.14705815
Topological Polar Surface Area:66.8
Heavy Atom Count:18
Complexity:359
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,1-Dimethylethyl) (2S)-2-(2-propen-1-yl)-1,2-pyrrolidinedicarboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-(1,1-Dimethylethyl) (2S)-2-(2-propen-1-yl)-1,2-pyrrolidinedicarboxylate

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