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136088-69-2 molecular structure
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tert-butyl 2-(methylamino)acetate hydrochloride

ChemBase ID: 70194
Molecular Formular: C7H16ClNO2
Molecular Mass: 181.66044
Monoisotopic Mass: 181.08695644
SMILES and InChIs

SMILES:
C(=O)(CNC)OC(C)(C)C.Cl
Canonical SMILES:
CNCC(=O)OC(C)(C)C.Cl
InChI:
InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)5-8-4;/h8H,5H2,1-4H3;1H
InChIKey:
RNLQHMIDSCYLAK-UHFFFAOYSA-N

Cite this record

CBID:70194 http://www.chembase.cn/molecule-70194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2-(methylamino)acetate hydrochloride
IUPAC Traditional name
tert-butyl 2-(methylamino)acetate hydrochloride
Synonyms
tert-Butyl sarcosinate hydrochloride
tert-Butyl sarcosinate hydrochloride
Sarcosine tert-butyl ester hydrochloride
tert-Butyl 2-(methylamino)acetate hydrochloride
叔丁基肌氨酸酯 盐酸盐
肌氨酸叔丁酯 盐酸盐
CAS Number
136088-69-2
5616-81-9
MDL Number
MFCD00080936
PubChem SID
162035917
24869718
PubChem CID
11252350

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.50677437  LogD (pH = 7.4) 0.4390548 
Log P 0.48495853  Molar Refractivity 39.3527 cm3
Polarizability 15.9186325 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
137-141 °C (dec.)(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
CH3NHCH2CO2C(CH3)3 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 460613 external link
Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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