Home Carboxys methyl 4-aminocycloheptane-1-carboxylate

methyl 4-aminocycloheptane-1-carboxylate

CAS No.:
1782857-39-9
Catalog Number:
AG01EJPN
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EJPN
Chemical Name:
methyl 4-aminocycloheptane-1-carboxylate
CAS Number:
1782857-39-9
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD31668361
IUPAC Name:
methyl 4-aminocycloheptane-1-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-12-9(11)7-3-2-4-8(10)6-5-7/h7-8H,2-6,10H2,1H3
InChI Key:
NBWDADGCWZGJAF-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCC(CC1)N
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties