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1196157-26-2 molecular structure
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tert-butyl N-[5-(chloromethyl)pyrazin-2-yl]carbamate

ChemBase ID: 814436
Molecular Formular: C10H14ClN3O2
Molecular Mass: 243.69006
Monoisotopic Mass: 243.07745438
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)c1cnc(cn1)CCl
Canonical SMILES:
ClCc1ncc(nc1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14-8-6-12-7(4-11)5-13-8/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKey:
CQKZCNGWNFYNLL-UHFFFAOYSA-N

Cite this record

CBID:814436 http://www.chembase.cn/molecule-814436.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[5-(chloromethyl)pyrazin-2-yl]carbamate
IUPAC Traditional name
tert-butyl N-[5-(chloromethyl)pyrazin-2-yl]carbamate
Synonyms
tert-butyl 5-(chloromethyl)pyrazin-2-ylcarbamate
CAS Number
1196157-26-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36601 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36601 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.561222  H Acceptors
H Donor LogD (pH = 5.5) 1.7120334 
LogD (pH = 7.4) 1.7120308  Log P 1.7120336 
Molar Refractivity 61.6946 cm3 Polarizability 23.382679 Å3
Polar Surface Area 64.11 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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