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Home > Other Heterocycles > 1251020-31-1
1251020-31-1 | Carbamic acid, N-3-azabicyclo[3.1.0]hex-1-yl-, phenylmethyl ester
CAS No: 1251020-31-1 Catalog No: AG000N6B MDL No:MFCD14581164
Product Description
Catalog Number:
AG000N6B
Chemical Name:
Carbamic acid, N-3-azabicyclo[3.1.0]hex-1-yl-, phenylmethyl ester
CAS Number:
1251020-31-1
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD14581164
IUPAC Name:
benzyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate
InChI:
InChI=1S/C13H16N2O2/c16-12(15-13-6-11(13)7-14-9-13)17-8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,16)
InChI Key:
FFNNFPWKLKSVTG-UHFFFAOYSA-N
SMILES:
O=C(NC12CNCC2C1)OCc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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