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1133115-32-8 molecular structure
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tert-butyl N-(4-bromophenyl)-N-(propan-2-yl)carbamate

ChemBase ID: 290282
Molecular Formular: C14H20BrNO2
Molecular Mass: 314.2181
Monoisotopic Mass: 313.06774089
SMILES and InChIs

SMILES:
O=C(OC(C)(C)C)N(c1ccc(Br)cc1)C(C)C
Canonical SMILES:
CC(N(c1ccc(cc1)Br)C(=O)OC(C)(C)C)C
InChI:
InChI=1S/C14H20BrNO2/c1-10(2)16(13(17)18-14(3,4)5)12-8-6-11(15)7-9-12/h6-10H,1-5H3
InChIKey:
GGCWJHRAPQNBDE-UHFFFAOYSA-N

Cite this record

CBID:290282 http://www.chembase.cn/molecule-290282.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(4-bromophenyl)-N-(propan-2-yl)carbamate
IUPAC Traditional name
tert-butyl N-(4-bromophenyl)-N-isopropylcarbamate
Synonyms
tert-Butyl (4-bromophenyl)(isopropyl)carbamate
CAS Number
1133115-32-8
PubChem SID
180675813
PubChem CID
46739377

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD228932 Please log in.
Data Source Data ID
PubChem 46739377 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2904086  LogD (pH = 7.4) 4.2904086 
Log P 4.2904086  Molar Refractivity 76.2563 cm3
Polarizability 29.702177 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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