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1001354-26-2 | Carbamic acid, N-(1-cyclopropyl-1H-imidazol-4-yl)-, 1,1-dimethylethyl ester
CAS No: 1001354-26-2 Catalog No: AG00011S MDL No:MFCD20482320
Product Description
Catalog Number:
AG00011S
Chemical Name:
Carbamic acid, N-(1-cyclopropyl-1H-imidazol-4-yl)-, 1,1-dimethylethyl ester
CAS Number:
1001354-26-2
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD20482320
IUPAC Name:
tert-butyl N-(1-cyclopropylimidazol-4-yl)carbamate
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-9-6-14(7-12-9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)
InChI Key:
FISWOBWGDDHBLL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncn(c1)C1CC1)OC(C)(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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