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113479-11-1 | Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-
CAS No: 113479-11-1 Catalog No: AG0008QH MDL No:MFCD18375304
Product Description
Catalog Number:
AG0008QH
Chemical Name:
Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-
CAS Number:
113479-11-1
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD18375304
IUPAC Name:
3-(benzylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C12H17NO2/c1-12(2,8-11(14)15)13-9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H,14,15)
InChI Key:
DHXNGBMVPJHMBV-UHFFFAOYSA-N
SMILES:
OC(=O)CC(NCc1ccccc1)(C)C
Properties
Complexity:
208
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:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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