Home Carboxys 4-Trans-(boc2-guanidino)methycyclohexane carboxylic acid

4-Trans-(boc2-guanidino)methycyclohexane carboxylic acid

CAS No.:
1263047-40-0
Catalog Number:
AG00VQ6U
Molecular Formula:
C19H33N3O6
Molecular Weight:
399.4818
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 99% (HPLC)
1 week
United States
$111
- +
1g
≥ 99% (HPLC)
1 week
United States
$279
- +
Product Description
Catalog Number:
AG00VQ6U
Chemical Name:
4-Trans-(boc2-guanidino)methycyclohexane carboxylic acid
CAS Number:
1263047-40-0
Molecular Formula:
C19H33N3O6
Molecular Weight:
399.4818
MDL Number:
MFCD18426561
IUPAC Name:
4-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C19H33N3O6/c1-18(2,3)27-16(25)21-15(22-17(26)28-19(4,5)6)20-11-12-7-9-13(10-8-12)14(23)24/h12-13H,7-11H2,1-6H3,(H,23,24)(H2,20,21,22,25,26)
InChI Key:
JWXSOCWKUWWJJT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(=NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)OC(C)(C)C C19H33N3O6
Properties
Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.237g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
399.488g/mol
Monoisotopic Mass:
399.237g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties