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107259-06-3 molecular structure
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tert-butyl N-(1-formylcyclopropyl)carbamate

ChemBase ID: 802364
Molecular Formular: C9H15NO3
Molecular Mass: 185.2203
Monoisotopic Mass: 185.10519335
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)C1(CC1)C=O
Canonical SMILES:
O=CC1(CC1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C9H15NO3/c1-8(2,3)13-7(12)10-9(6-11)4-5-9/h6H,4-5H2,1-3H3,(H,10,12)
InChIKey:
ACMHCEYCNRURST-UHFFFAOYSA-N

Cite this record

CBID:802364 http://www.chembase.cn/molecule-802364.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(1-formylcyclopropyl)carbamate
IUPAC Traditional name
tert-butyl N-(1-formylcyclopropyl)carbamate
Synonyms
(1-FORMYL-CYCLOPROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number
107259-06-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18837 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18837 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.604933  H Acceptors
H Donor LogD (pH = 5.5) 0.87971723 
LogD (pH = 7.4) 0.87971705  Log P 0.8797173 
Molar Refractivity 47.202 cm3 Polarizability 18.603695 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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