Home Aminos methyl 3-amino-2-benzylbutanoate hydrochloride

methyl 3-amino-2-benzylbutanoate hydrochloride

CAS No.:
1803591-60-7
Catalog Number:
AG01B9D6
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
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Product Description
Catalog Number:
AG01B9D6
Chemical Name:
methyl 3-amino-2-benzylbutanoate hydrochloride
CAS Number:
1803591-60-7
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD28383822
IUPAC Name:
methyl 3-amino-2-benzylbutanoate;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-9(13)11(12(14)15-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChI Key:
CINFYCUDJCUMTC-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(N)C)Cc1ccccc1.Cl
Properties
Complexity:
200  
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:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties