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1352709-57-9 molecular structure
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2-[(2S)-morpholin-2-yl]acetic acid hydrochloride

ChemBase ID: 294583
Molecular Formular: C6H12ClNO3
Molecular Mass: 181.61738
Monoisotopic Mass: 181.05057093
SMILES and InChIs

SMILES:
O=C(O)C[C@H]1CNCCO1.Cl
Canonical SMILES:
OC(=O)C[C@H]1CNCCO1.Cl
InChI:
InChI=1S/C6H11NO3.ClH/c8-6(9)3-5-4-7-1-2-10-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m0./s1
InChIKey:
ZLGFQSPNFIEARF-JEDNCBNOSA-N

Cite this record

CBID:294583 http://www.chembase.cn/molecule-294583.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2S)-morpholin-2-yl]acetic acid hydrochloride
IUPAC Traditional name
(2S)-morpholin-2-ylacetic acid hydrochloride
Synonyms
(S)-2-(Morpholin-2-yl)acetic acid hydrochloride
CAS Number
1352709-57-9
PubChem SID
180680114
PubChem CID
72183423

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD263079 Please log in.
Data Source Data ID
PubChem 72183423 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.0798106  H Acceptors
H Donor LogD (pH = 5.5) -3.1182837 
LogD (pH = 7.4) -3.1251283  Log P -3.1097333 
Molar Refractivity 34.2221 cm3 Polarizability 13.865244 Å3
Polar Surface Area 58.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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