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15014-58-1 | 1-Butanamine, ethanedioate (2:1)
CAS No: 15014-58-1 Catalog No: AG001MDK MDL No:
Product Description
Catalog Number:
AG001MDK
Chemical Name:
1-Butanamine, ethanedioate (2:1)
CAS Number:
15014-58-1
Molecular Formula:
C10H24N2O4
Molecular Weight:
236.3086
IUPAC Name:
butan-1-amine;oxalic acid
InChI:
InChI=1S/2C4H11N.C2H2O4/c2*1-2-3-4-5;3-1(4)2(5)6/h2*2-5H2,1H3;(H,3,4)(H,5,6)
InChI Key:
KICZOBJDLGFYNR-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCN.CCCCN
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.174g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
236.312g/mol
Monoisotopic Mass:
236.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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