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4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine

4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine structure

CAS No:
131724-45-3
Formula:
C15H18N2O4
Chemical Name:
4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine
Synonyms:
L-Phenylalanine,4-cyano-N-[(1,1-dimethylethoxy)carbonyl]-;4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine;(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-cyanophenyl)propionic acid;(2S)-3-(4-Cyanophenyl)-2-(tert-butoxycarbonylamino)propanoic acid;(S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-cyanophenyl)propionic acid;(S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-cyanophenyl)propanoic acid;(2S)-2-(tert-Butoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

white to off-white powder

4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine Basic Attributes

Molecular Weight：

290.31

Exact Mass：

290.31

DSSTox ID：

DTXSID70427301

HScode：

29223900

Characteristics

PSA：

99.4

XLogP3：

1.5

Appearance：

White Powder

Density：

1.1611 (rough estimate)

Melting Point：

152.3 °C

Boiling Point：

432.4°C (rough estimate)

Flash Point：

252.6±28.7 °C

Refractive Index：

1.6280 (estimate)

Storage Conditions：

-15°C

Vapor Pressure：

1.41E-10mmHg at 25°C

Safety Information

Hazard category：

6.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine Use and Manufacturing

Preparation of tert-butyl (S)-(3-(4-cyanophenyl)-1-(dimethylamino)-1- oxopropan-2-yl)carbamate (I-2; R2 = -N(CH3)2). HATU (1.2 equiv., 1.57 g, 4.13 mmol) was added to a stirring solution of

Computed Properties

Molecular Weight:290.31
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:290.12665706
Monoisotopic Mass:290.12665706
Topological Polar Surface Area:99.4
Heavy Atom Count:21
Complexity:425
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine

SDS

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