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BOC-β-alanine

BOC-β-alanine structure

CAS No:
3303-84-2
Formula:
C8H15NO4
Chemical Name:
BOC-β-alanine
Synonyms:
β-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-;β-Alanine,N-carboxy-,N-tert-butyl ester;N-[(1,1-Dimethylethoxy)carbonyl]-β-alanine;N-(t-Butoxycarbonyl)-β-alanine;N-[(t-Butyloxy)carbonyl]-β-alanine;N-tert-Butoxycarbonyl-β-alanine;N-(tert-Butyloxycarbonyl)-β-alanine;3-(tert-Butoxycarbonylamino)propionic acid;BOC-β-alanine;N-(tert-Butoxycarbonyl)-3-aminopropionic acid;BOC-3-aminopropanoic acid;N-Boc-β-alanine;3-(tert-Butoxycarbonylamino)propanoic acid;Boc-3-aminopropionic acid;3-[N-(tert-Butoxycarbonyl)amino]propionic acid;N-tert-Butoxycarbonyl-3-aminopropanoic acid;N-Boc-3-aminopropanoic acid;3-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

White solid

BOC-β-alanine Basic Attributes

Molecular Weight：

189.21

Exact Mass：

189.21

EC Number：

221-979-2

DSSTox ID：

DTXSID60186697

HScode：

29241990

Characteristics

PSA：

75.6

XLogP3：

0.4

Appearance：

White to off-white Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

76-77 °C @ Solvent: Hexane, Ligroine

Boiling Point：

333.9°C at 760 mmHg

Flash Point：

147.9±23.2 °C

Refractive Index：

1.460

Storage Conditions：

Store at 0°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

22-24/25-36-26

Marks：

Precautionary statement(s)：

P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.21
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:189.10010796
Monoisotopic Mass:189.10010796
Topological Polar Surface Area:75.6
Heavy Atom Count:13
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of BOC-β-alanine

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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BOC-β-alanine

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