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64665-60-7 molecular structure
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methyl 2-amino-2-methyl-3-phenylpropanoate hydrochloride

ChemBase ID: 151638
Molecular Formular: C11H16ClNO2
Molecular Mass: 229.70324
Monoisotopic Mass: 229.08695644
SMILES and InChIs

SMILES:
CC(Cc1ccccc1)(C(=O)OC)N.Cl
Canonical SMILES:
COC(=O)C(Cc1ccccc1)(N)C.Cl
InChI:
InChI=1S/C11H15NO2.ClH/c1-11(12,10(13)14-2)8-9-6-4-3-5-7-9;/h3-7H,8,12H2,1-2H3;1H
InChIKey:
VUYGLGCVKCLWPY-UHFFFAOYSA-N

Cite this record

CBID:151638 http://www.chembase.cn/molecule-151638.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-amino-2-methyl-3-phenylpropanoate hydrochloride
IUPAC Traditional name
methyl 2-amino-2-methyl-3-phenylpropanoate hydrochloride
Synonyms
(±)-Methyl 2-amino-2-methyl-3-phenylpropionate hydrochloride
α-Methyl-DL-phenylalanine methyl ester hydrochloride
(±)-2-氨基-2-甲基-3-苯基丙酸甲酯 盐酸盐
α-甲基-DL-苯丙氨酸甲酯 盐酸盐
CAS Number
64665-60-7
MDL Number
MFCD00237767
Beilstein Number
3712336
PubChem SID
24885697
162245789
PubChem CID
13018897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
68628 external link Add to cart Please log in.
Data Source Data ID
PubChem 13018897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.052343026  LogD (pH = 7.4) 1.4358083 
Log P 1.656275  Molar Refractivity 54.5987 cm3
Polarizability 21.825178 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
138-143 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98.0% (DCF) expand Show data source
Empirical Formula (Hill Notation)
C11H15NO2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 68628 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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