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1956386-55-2 | methyl 4-amino-2-(2-aminoethyl)butanoate dihydrochloride
CAS No: 1956386-55-2 Catalog No: AG01FMFG MDL No:MFCD29047004
Product Description
Catalog Number:
AG01FMFG
Chemical Name:
methyl 4-amino-2-(2-aminoethyl)butanoate dihydrochloride
CAS Number:
1956386-55-2
Molecular Formula:
C7H18Cl2N2O2
Molecular Weight:
233.1360
MDL Number:
MFCD29047004
IUPAC Name:
methyl 4-amino-2-(2-aminoethyl)butanoate;dihydrochloride
InChI:
InChI=1S/C7H16N2O2.2ClH/c1-11-7(10)6(2-4-8)3-5-9;;/h6H,2-5,8-9H2,1H3;2*1H
InChI Key:
NMRRDLGOFZRYMX-UHFFFAOYSA-N
SMILES:
NCCC(C(=O)OC)CCN.Cl.Cl
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
233.133g/mol
Monoisotopic Mass:
232.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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