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102014-64-2 | Butanoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)
CAS No: 102014-64-2 Catalog No: AG0006C7 MDL No:MFCD22056243
Product Description
Catalog Number:
AG0006C7
Chemical Name:
Butanoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)
CAS Number:
102014-64-2
Molecular Formula:
C6H14ClNO2
Molecular Weight:
167.6339
MDL Number:
MFCD22056243
IUPAC Name:
ethyl 3-aminobutanoate;hydrochloride
InChI:
InChI=1S/C6H13NO2.ClH/c1-3-9-6(8)4-5(2)7;/h5H,3-4,7H2,1-2H3;1H
InChI Key:
ISVBSAIYXBEVSI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(N)C.Cl
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.633g/mol
Monoisotopic Mass:
167.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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