200,000+ products from a single source!
sales@angenechem.com
84731-72-6 | BENZOIC ACID COMPOUND WITH 1-METHYLHEXYLAMINE (1:1)
CAS No: 84731-72-6 Catalog No: AG004YNJ MDL No:
Product Description
Catalog Number:
AG004YNJ
Chemical Name:
BENZOIC ACID COMPOUND WITH 1-METHYLHEXYLAMINE (1:1)
CAS Number:
84731-72-6
Molecular Formula:
C14H23NO2
Molecular Weight:
237.3379
IUPAC Name:
benzoic acid;heptan-2-amine
InChI:
InChI=1S/C7H17N.C7H6O2/c1-3-4-5-6-7(2)8;8-7(9)6-4-2-1-3-5-6/h7H,3-6,8H2,1-2H3;1-5H,(H,8,9)
InChI Key:
YWEUMXMZSVVUEG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.CCCCCC(N)C
EC Number:
283-831-3
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.343g/mol
Monoisotopic Mass:
237.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.