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162254373 molecular structure
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2-amino-3-[(2H3)methylamino]propanoic acid hydrochloride

ChemBase ID: 160238
Molecular Formular: C4H11ClN2O2
Molecular Mass: 154.59534
Monoisotopic Mass: 154.05090528
SMILES and InChIs

SMILES:
N(CC(N)C(=O)O)C.Cl
Canonical SMILES:
CNCC(C(=O)O)N.Cl
InChI:
InChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H
InChIKey:
VDXYGASOGLSIDM-UHFFFAOYSA-N

Cite this record

CBID:160238 http://www.chembase.cn/molecule-160238.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-[(2H3)methylamino]propanoic acid hydrochloride
IUPAC Traditional name
2-amino-3-[(2H3)methylamino]propanoic acid hydrochloride
Synonyms
3-(Methyl-d3-amino)-DL-alanine Monohydrochloride
2-Amino-3-(methyl-d3-amino)-propionic Acid Hydrochloride
α-Amino-β-methylaminopropionic Acid-d3 Hydrochloride
PubChem SID
162254373
PubChem CID
71313292

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A612002 external link Add to cart
PubChem 71313292 external link
Data Source Data ID Price
TRC
A612002 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313292 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9565612  H Acceptors
H Donor LogD (pH = 5.5) -4.890651 
LogD (pH = 7.4) -3.8186586  Log P -3.7745397 
Molar Refractivity 28.4731 cm3 Polarizability 11.706662 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
174-176°C (dec.) expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A612002 external link
α-Amino-β-methylaminopropionic Acid is an amino acid isolated from the seeds of Cycas Circinalis that is neurotoxic to higher animals. α-Amino-β-methylaminopropionic Acid may cause Guam disease, a form of amyotrophic lateral sclerosis (ALS). α-Amino-β-me

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Spence, et al: Science, 237, 517 (1987)
  • • Copani, et al.: Eur. J. Pharmacol., 181, 327 (1987)
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PATENTS

PATENTS

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INTERNET

INTERNET

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