Home Aminos Methyl 3-(benzylamino)butanoate

Methyl 3-(benzylamino)butanoate

CAS No.:
40871-00-9
Catalog Number:
AG00D6HM
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$150
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Product Description
Catalog Number:
AG00D6HM
Chemical Name:
Methyl 3-(benzylamino)butanoate
CAS Number:
40871-00-9
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD12131728
IUPAC Name:
methyl 3-(benzylamino)butanoate
InChI:
InChI=1S/C12H17NO2/c1-10(8-12(14)15-2)13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChI Key:
BNNDKMWWUARZGQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(NCc1ccccc1)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties