Home Aminos Methyl 4-(Benzylamino)Butanoate Hydrochloride

Methyl 4-(Benzylamino)Butanoate Hydrochloride

CAS No.:
60169-40-6
Catalog Number:
AG00IANP
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
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Product Description
Catalog Number:
AG00IANP
Chemical Name:
Methyl 4-(Benzylamino)Butanoate Hydrochloride
CAS Number:
60169-40-6
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD22392200
IUPAC Name:
methyl 4-(benzylamino)butanoate;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-15-12(14)8-5-9-13-10-11-6-3-2-4-7-11;/h2-4,6-7,13H,5,8-10H2,1H3;1H
InChI Key:
KRNXSUDEQGNMTL-UHFFFAOYSA-N
SMILES:
COC(=O)CCCNCc1ccccc1.Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties