Home Carboxys Racemic-(3aR,4R,7aS)-tert-butyl 4-(aminomethyl)hexahydro-1H-isoindole-2(3H)-carboxylate

Racemic-(3aR,4R,7aS)-tert-butyl 4-(aminomethyl)hexahydro-1H-isoindole-2(3H)-carboxylate

CAS No.:
1250993-72-6
Catalog Number:
AG00HHX6
Molecular Formula:
C14H26N2O2
Molecular Weight:
254.3684
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00HHX6
Chemical Name:
Racemic-(3aR,4R,7aS)-tert-butyl 4-(aminomethyl)hexahydro-1H-isoindole-2(3H)-carboxylate
CAS Number:
1250993-72-6
Molecular Formula:
C14H26N2O2
Molecular Weight:
254.3684
MDL Number:
MFCD12198708
IUPAC Name:
tert-butyl (3aR,4R,7aS)-4-(aminomethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
InChI:
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-11-6-4-5-10(7-15)12(11)9-16/h10-12H,4-9,15H2,1-3H3/t10-,11+,12+/m0/s1
InChI Key:
ATFHYPICLWVHFR-QJPTWQEYSA-N
SMILES:
NC[C@@H]1CCC[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.199g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.374g/mol
Monoisotopic Mass:
254.199g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties