Home Other Building Blocks (S)-3-Amino-1-benzyl-azepan-2-one

(S)-3-Amino-1-benzyl-azepan-2-one

CAS No.:
209983-91-5
Catalog Number:
AG002KID
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$332
- +
5g
98%
1 week
United States
$1214
- +
Product Description
Catalog Number:
AG002KID
Chemical Name:
(S)-3-Amino-1-benzyl-azepan-2-one
CAS Number:
209983-91-5
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD01861208
IUPAC Name:
(3S)-3-amino-1-benzylazepan-2-one
InChI:
InChI=1S/C13H18N2O/c14-12-8-4-5-9-15(13(12)16)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2/t12-/m0/s1
InChI Key:
WUBFFASJCUPUCX-LBPRGKRZSA-N
SMILES:
O=C1[C@@H](N)CCCCN1Cc1ccccc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties