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Boc-L-homophenylalanine

Boc-L-homophenylalanine structure

CAS No:
100564-78-1
Formula:
C15H21NO4
Chemical Name:
Boc-L-homophenylalanine
Synonyms:
2-tert-Butoxycarbonylamino-4-(S)-phenylbutyric acid;BOC-L-HOMOPHE;BOC-L-HOMOPHENYL-ALA;Boc-Hphe-OH ,98%;Boc-HoPhe-PH;Benzenebutanoic acid, a-[[(1,1-diMethylethoxy)carbonyl]aMino]-,(;(S)-2-(N-(tert-butoxycarbonyl)aMino)-4-phenylbutanoic acid;Boc-Hphe
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

White powder

Boc-L-homophenylalanine Basic Attributes

Molecular Weight：

279.33

Exact Mass：

279.147064

DSSTox ID：

DTXSID10427007

HScode：

29242990

Characteristics

PSA：

75.6

XLogP3：

2.9

Density：

1.139

Melting Point：

76-80 °C

Boiling Point：

439.6±38.0 °C(Predicted)

Flash Point：

219.7±26.8 °C

Refractive Index：

1.525

Water Solubility：

Soluble in methanol.

Storage Conditions：

2-8°C

Vapor Pressure：

1.67E-08mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Marks：

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 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:279.33
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:279.14705815
Monoisotopic Mass:279.14705815
Topological Polar Surface Area:75.6
Heavy Atom Count:20
Complexity:329
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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