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61275-22-7 molecular structure
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(2S)-2-amino-N-methylpropanamide hydrochloride

ChemBase ID: 119979
Molecular Formular: C4H11ClN2O
Molecular Mass: 138.59594
Monoisotopic Mass: 138.05599066
SMILES and InChIs

SMILES:
C(=O)(NC)[C@@H](N)C.Cl
Canonical SMILES:
CNC(=O)[C@@H](N)C.Cl
InChI:
InChI=1S/C4H10N2O.ClH/c1-3(5)4(7)6-2;/h3H,5H2,1-2H3,(H,6,7);1H/t3-;/m0./s1
InChIKey:
UHWFDFLWTAIHRE-DFWYDOINSA-N

Cite this record

CBID:119979 http://www.chembase.cn/molecule-119979.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-N-methylpropanamide hydrochloride
IUPAC Traditional name
(2S)-2-amino-N-methylpropanamide hydrochloride
Synonyms
(S)-2-amino-N-methylpropanamide hydrochloride
CAS Number
61275-22-7
PubChem SID
162108236
PubChem CID
18595779

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18595779 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.123486  H Acceptors
H Donor LogD (pH = 5.5) -3.8164928 
LogD (pH = 7.4) -2.1892858  Log P -1.1619779 
Molar Refractivity 27.2162 cm3 Polarizability 10.84336 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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