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Home > Other Heterocycles > 134575-11-4
134575-11-4 | Tert-Butyl (((Meso-1R,5S,6S)-3-Benzyl-3-Azabicyclo[3.1.0]Hexan-6-Yl)Methyl)Carbamate
CAS No: 134575-11-4 Catalog No: AG00HTCH MDL No:MFCD23378529
Product Description
Catalog Number:
AG00HTCH
Chemical Name:
Tert-Butyl (((Meso-1R,5S,6S)-3-Benzyl-3-Azabicyclo[3.1.0]Hexan-6-Yl)Methyl)Carbamate
CAS Number:
134575-11-4
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
MDL Number:
MFCD23378529
IUPAC Name:
tert-butyl N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
InChI:
InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-9-14-15-11-20(12-16(14)15)10-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,19,21)/t14?,15-,16+
InChI Key:
PZLROGVCOKZEST-MQVJKMGUSA-N
SMILES:
O=C(OC(C)(C)C)NC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
302.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.418g/mol
Monoisotopic Mass:
302.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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