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Home Other Building Blocks tert-Butyl n-(3-oxopyrazolidin-4-yl)carbamate

tert-Butyl n-(3-oxopyrazolidin-4-yl)carbamate

CAS No.:
106693-44-1
Catalog Number:
AG00HAUV
Molecular Formula:
C8H15N3O3
Molecular Weight:
201.2230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$514
- +
1g
95%
1 week
United States
$1228
- +
Product Description
Catalog Number:
AG00HAUV
Chemical Name:
tert-Butyl n-(3-oxopyrazolidin-4-yl)carbamate
CAS Number:
106693-44-1
Molecular Formula:
C8H15N3O3
Molecular Weight:
201.2230
MDL Number:
MFCD13176501
IUPAC Name:
tert-butyl N-(3-oxopyrazolidin-4-yl)carbamate
InChI:
InChI=1S/C8H15N3O3/c1-8(2,3)14-7(13)10-5-4-9-11-6(5)12/h5,9H,4H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
ZQKRXICHSSNONQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CNNC1=O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
201.226g/mol
Monoisotopic Mass:
201.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties