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112257-19-9 molecular structure
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tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate

ChemBase ID: 274442
Molecular Formular: C9H20N2O2
Molecular Mass: 188.2673
Monoisotopic Mass: 188.15247789
SMILES and InChIs

SMILES:
C(=O)(OC(C)(C)C)N(CCNC)C
Canonical SMILES:
CNCCN(C(=O)OC(C)(C)C)C
InChI:
InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3
InChIKey:
DFVRUHANEXOZGT-UHFFFAOYSA-N

Cite this record

CBID:274442 http://www.chembase.cn/molecule-274442.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
IUPAC Traditional name
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
Synonyms
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
tert-butyl methyl[2-(methylamino)ethyl]carbamate
CAS Number
112257-19-9
MDL Number
MFCD09953267
PubChem SID
164330352
PubChem CID
14403871

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14403871 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4544642  LogD (pH = 7.4) -1.4010946 
Log P 0.7259112  Molar Refractivity 52.4129 cm3
Polarizability 20.739033 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.529 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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