Home Aminos Pentanoic acid, 4-methyl-3-[(phenylmethyl)amino]-, (±)-

Pentanoic acid, 4-methyl-3-[(phenylmethyl)amino]-, (±)-

CAS No.:
118248-61-6
Catalog Number:
AG00HEFL
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
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Product Description
Catalog Number:
AG00HEFL
Chemical Name:
Pentanoic acid, 4-methyl-3-[(phenylmethyl)amino]-, (±)-
CAS Number:
118248-61-6
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD18207311
IUPAC Name:
3-(benzylamino)-4-methylpentanoic acid
InChI:
InChI=1S/C13H19NO2/c1-10(2)12(8-13(15)16)14-9-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)
InChI Key:
CRGHGHLMEXVSAO-UHFFFAOYSA-N
SMILES:
CC(C(CC(=O)O)NCc1ccccc1)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties