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13031-60-2 | Butanoic acid, 4-amino-, methyl ester, hydrochloride (1:1)
CAS No: 13031-60-2 Catalog No: AG000UAE MDL No:MFCD00043270
Product Description
Catalog Number:
AG000UAE
Chemical Name:
Butanoic acid, 4-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
13031-60-2
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
MDL Number:
MFCD00043270
IUPAC Name:
methyl 4-aminobutanoate;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChI Key:
WPGPRLVPWACBHW-UHFFFAOYSA-N
SMILES:
COC(=O)CCCN.Cl
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.606g/mol
Monoisotopic Mass:
153.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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