Home Other Building Blocks 3-(Aminomethyl)benzoic acid methyl ester

3-(Aminomethyl)benzoic acid methyl ester

CAS No.:
93071-65-9
Catalog Number:
AG00361U
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG00361U
Chemical Name:
3-(Aminomethyl)benzoic acid methyl ester
CAS Number:
93071-65-9
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD06797940
IUPAC Name:
methyl 3-(aminomethyl)benzoate
InChI:
InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6,10H2,1H3
InChI Key:
OWBKDJSKHXGOJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)CN
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties