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1000577-78-5,MFCD09878667
Catalog No.:AA0000OY
1000577-78-5 | Carbamic acid, N-[1-(phenylmethyl)-3-azetidinyl]-, 1,1-dimethylethyl ester
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Technical Information
Catalog Number:
AA0000OY
Chemical Name:
Carbamic acid, N-[1-(phenylmethyl)-3-azetidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1000577-78-5
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD09878667
IUPAC Name:
tert-butyl N-(1-benzylazetidin-3-yl)carbamate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-13-10-17(11-13)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)
InChI Key:
WWOIZPTXNMBINN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CN(C1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
1000577-78-5 
tert-Butyl (1-benzylazetidin-3-yl)carbamate 
ZINC35269700 
AKOS005258645 
FCH1627204 
tert-Butyl1-benzylazetidin-3-ylcarbamate 
AJ-90862 
AK-38934 
DS-13072 
AX8162752 
DB-058267 
FT-0752879 
TERT-BUTYL 1-BENZYLAZETIDIN-3-YLCARBAMATE 
B-1690 
tert-butyl N-(1-benzylazetidin-3-yl)carbamate 
A800032 
N-[1-(phenylmethyl)-3-azetidinyl]carbamic acid tert-butyl ester 
Carbamic acid, N-[1-(phenylmethyl)-3-azetidinyl]-, 1,1-dimethylethyl ester 
tert-Butyl(1-benzylazetidin-3-yl)carbamate 
tert-butyl 1-Benzylazetidin-3yl-carbamate 
tert-butyl N-[1-(phenylmethyl)azetidin-3-yl]carbamate 
1-Benzyl-(3-N-Boc-amino)azetidine 
SCHEMBL1815532 
DTXSID20659978 
CB-100 
MFCD09878667 
Literature
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