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16217-40-6 | Propanoic acid, 2-methyl-3-[(1-methylethyl)amino]-
CAS No: 16217-40-6 Catalog No: AG001SUK MDL No:
Product Description
Catalog Number:
AG001SUK
Chemical Name:
Propanoic acid, 2-methyl-3-[(1-methylethyl)amino]-
CAS Number:
16217-40-6
Molecular Formula:
C7H15NO2
Molecular Weight:
145.1995
IUPAC Name:
2-methyl-3-(propan-2-ylamino)propanoic acid
InChI:
InChI=1S/C7H15NO2/c1-5(2)8-4-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChI Key:
KOYPKRVUKVZWDX-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CNC(C)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.202g/mol
Monoisotopic Mass:
145.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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