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63291-39-4 molecular structure
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(2R)-2-amino-2-phenylacetamide hydrochloride

ChemBase ID: 150985
Molecular Formular: C8H11ClN2O
Molecular Mass: 186.63874
Monoisotopic Mass: 186.05599066
SMILES and InChIs

SMILES:
c1ccc(cc1)[C@H](C(=O)N)N.Cl
Canonical SMILES:
N[C@H](c1ccccc1)C(=O)N.Cl
InChI:
InChI=1S/C8H10N2O.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H2,10,11);1H/t7-;/m1./s1
InChIKey:
LXOAFHGMXCFTOU-OGFXRTJISA-N

Cite this record

CBID:150985 http://www.chembase.cn/molecule-150985.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-2-phenylacetamide hydrochloride
IUPAC Traditional name
(2R)-2-amino-2-phenylacetamide hydrochloride
Synonyms
(R)-(+)-2-Amino-2-phenylacetamide hydrochloride
D-2-Amino-2-phenylacetamide hydrochloride
(R)-(+)-2-氨基-2-苯乙酰胺 盐酸盐
D-2-氨基-2-苯基乙酰胺盐酸盐
CAS Number
63291-39-4
MDL Number
MFCD01863288
PubChem SID
162245144
24877945
PubChem CID
16216957

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
533157 external link Add to cart Please log in.
Data Source Data ID
PubChem 16216957 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.122173  H Acceptors
H Donor LogD (pH = 5.5) -2.2010598 
LogD (pH = 7.4) -0.5249433  Log P -0.017988766 
Molar Refractivity 42.1835 cm3 Polarizability 16.739655 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
294 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]20/D -1.4°, c = 1% in H2O expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C8H10N2O · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 533157 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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