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2578-28-1 molecular structure
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2-amino-4-(methylselanyl)butanoic acid

ChemBase ID: 102730
Molecular Formular: C5H11NO2Se
Molecular Mass: 196.10634
Monoisotopic Mass: 196.9954996
SMILES and InChIs

SMILES:
[Se](CCC(N)C(=O)O)C
Canonical SMILES:
C[Se]CCC(C(=O)O)N
InChI:
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey:
RJFAYQIBOAGBLC-UHFFFAOYSA-N

Cite this record

CBID:102730 http://www.chembase.cn/molecule-102730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-(methylselanyl)butanoic acid
IUPAC Traditional name
DL-selenomethionine
(+-)-selenomethionine
selenomethionine
Synonyms
MSE
Selenomethionine
Seleno-DL-methionine
SELENO-DL-METHIONINE
DL-SELENOMETHIONINE
CAS Number
2578-28-1
3211-76-5
1464-42-2
EC Number
215-977-0
MDL Number
MFCD00063089
Beilstein Number
1758204
PubChem SID
24899572
162090201
PubChem CID
15103
CHEBI ID
27585
Chemspider ID
14375
Unique Ingredient Identifier
964MRK2PEL
Wikipedia Title
Selenomethionine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.5595214  H Acceptors
H Donor LogD (pH = 5.5) -3.3019404 
LogD (pH = 7.4) -3.304805  Log P -3.301995 
Molar Refractivity 42.9074 cm3 Polarizability 12.301538 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.5 M HCl: soluble50 mg/mL, clear, colorless expand Show data source
Melting Point
265 -267°C expand Show data source
267-269 °C expand Show data source
Storage Condition
0°C expand Show data source
RTECS
ES7110000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
3283 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
23/25-33-50/53 expand Show data source
R:25 expand Show data source
Safety Statements
20/21-28-45-60-61 expand Show data source
S:28-36/37/39-45-53 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H331-H373-H410 expand Show data source
GHS Precautionary statements
P261-P273-P301 + P310-P311-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3283 6.1/PG 2 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥99% (TLC) expand Show data source
≥99.0% (TLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C5H11NO2Se expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02102862 external link
Crystalline
HIGHLY TOXIC!
MP Biomedicals - 05217687 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 84925 external link
Other Notes
Reacts more rapidly than methionine in the S-adenosylmethionine synthetase reaction1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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