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614718-86-4 molecular structure
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2-amino-N-(propan-2-yl)acetamide hydrochloride

ChemBase ID: 24159
Molecular Formular: C5H13ClN2O
Molecular Mass: 152.62252
Monoisotopic Mass: 152.07164073
SMILES and InChIs

SMILES:
C(=O)(NC(C)C)CN.Cl
Canonical SMILES:
NCC(=O)NC(C)C.Cl
InChI:
InChI=1S/C5H12N2O.ClH/c1-4(2)7-5(8)3-6;/h4H,3,6H2,1-2H3,(H,7,8);1H
InChIKey:
ABTBXBZDYYYVEM-UHFFFAOYSA-N

Cite this record

CBID:24159 http://www.chembase.cn/molecule-24159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(propan-2-yl)acetamide hydrochloride
IUPAC Traditional name
2-amino-N-isopropylacetamide hydrochloride
Synonyms
2-Amino-N-isopropylacetamide hydrochloride
2-Amino-N-isopropyl-acetamide hydrochloride
CAS Number
614718-86-4
MDL Number
MFCD09702440
PubChem SID
160987466
PubChem CID
20129216

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 20129216 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.026606  H Acceptors
H Donor LogD (pH = 5.5) -3.4501884 
LogD (pH = 7.4) -1.7669865  Log P -0.95735914 
Molar Refractivity 31.8897 cm3 Polarizability 12.678941 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
148 - 150°C expand Show data source
Hydrophobicity(logP)
-0.767 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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